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142141-37-5 molecular structure
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2-amino-N-cyclopentylbenzamide

ChemBase ID: 235753
Molecular Formular: C12H16N2O
Molecular Mass: 204.26824
Monoisotopic Mass: 204.12626314
SMILES and InChIs

SMILES:
C(=O)(c1c(N)cccc1)NC1CCCC1
Canonical SMILES:
O=C(c1ccccc1N)NC1CCCC1
InChI:
InChI=1S/C12H16N2O/c13-11-8-4-3-7-10(11)12(15)14-9-5-1-2-6-9/h3-4,7-9H,1-2,5-6,13H2,(H,14,15)
InChIKey:
PHVOXPMLASKJCQ-UHFFFAOYSA-N

Cite this record

CBID:235753 http://www.chembase.cn/molecule-235753.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-amino-N-cyclopentylbenzamide
IUPAC Traditional name
2-amino-N-cyclopentylbenzamide
Synonyms
2-amino-N-cyclopentylbenzamide
CAS Number
142141-37-5
MDL Number
MFCD06001620
PubChem SID
164291663
PubChem CID
1253061

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-10203 external link Add to cart Please log in.
Data Source Data ID
PubChem 1253061 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.506004  H Acceptors
H Donor LogD (pH = 5.5) 2.2223241 
LogD (pH = 7.4) 2.2233253  Log P 2.2233381 
Molar Refractivity 61.1467 cm3 Polarizability 22.777935 Å3
Polar Surface Area 55.12 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
174 - 176°C expand Show data source
Hydrophobicity(logP)
2.026 expand Show data source
Purity
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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