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61788-27-0 molecular structure
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N-(2-chlorophenyl)-1H-indole-3-carboxamide

ChemBase ID: 274689
Molecular Formular: C15H11ClN2O
Molecular Mass: 270.71364
Monoisotopic Mass: 270.05599066
SMILES and InChIs

SMILES:
c1(C(=O)Nc2c(Cl)cccc2)c[nH]c2c1cccc2
Canonical SMILES:
Clc1ccccc1NC(=O)c1c[nH]c2c1cccc2
InChI:
InChI=1S/C15H11ClN2O/c16-12-6-2-4-8-14(12)18-15(19)11-9-17-13-7-3-1-5-10(11)13/h1-9,17H,(H,18,19)
InChIKey:
OYUBLAUHKNUTEB-UHFFFAOYSA-N

Cite this record

CBID:274689 http://www.chembase.cn/molecule-274689.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(2-chlorophenyl)-1H-indole-3-carboxamide
IUPAC Traditional name
N-(2-chlorophenyl)-1H-indole-3-carboxamide
Synonyms
N-(2-chlorophenyl)-1H-indole-3-carboxamide
CAS Number
61788-27-0
MDL Number
MFCD12478724
PubChem SID
164330599
PubChem CID
12375091

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 12375091 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.537101  H Acceptors
H Donor LogD (pH = 5.5) 3.7679336 
LogD (pH = 7.4) 3.7676365  Log P 3.7679372 
Molar Refractivity 77.4828 cm3 Polarizability 30.030334 Å3
Polar Surface Area 44.89 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
213 - 215°C expand Show data source
Hydrophobicity(logP)
3.017 expand Show data source
Purity
95% expand Show data source
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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