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MFCD00018455 molecular structure
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N-(3-chlorophenyl)-N-methylacetamide

ChemBase ID: 91897
Molecular Formular: C9H10ClNO
Molecular Mass: 183.6348
Monoisotopic Mass: 183.04509163
SMILES and InChIs

SMILES:
N(c1cc(ccc1)Cl)(C)C(=O)C
Canonical SMILES:
Clc1cccc(c1)N(C(=O)C)C
InChI:
InChI=1S/C9H10ClNO/c1-7(12)11(2)9-5-3-4-8(10)6-9/h3-6H,1-2H3
InChIKey:
WUOSYUHCXLQPQJ-UHFFFAOYSA-N

Cite this record

CBID:91897 http://www.chembase.cn/molecule-91897.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(3-chlorophenyl)-N-methylacetamide
IUPAC Traditional name
N-(3-chlorophenyl)-N-methylacetamide
Synonyms
N-Acetyl-N-methyl-3-chloroaniline
MDL Number
MFCD00018455
PubChem SID
162078595
PubChem CID
258029

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR8060 external link Add to cart Please log in.
Data Source Data ID
PubChem 258029 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.6790669  LogD (pH = 7.4) 1.6790669 
Log P 1.6790669  Molar Refractivity 48.8417 cm3
Polarizability 18.919966 Å3 Polar Surface Area 20.31 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Melting Point
92-94°C expand Show data source
Storage Warning
Irritant expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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