3-chloro-N-methylnaphthalene-2-carboxamide

C12H10ClNO — CID 133063253

IUPAC3-chloro-N-methylnaphthalene-2-carboxamide
SMILESCNC(=O)c1cc2ccccc2cc1Cl
InChIInChI=1S/C12H10ClNO/c1-14-12(15)10-6-8-4-2-3-5-9(8)7-11(10)13/h2-7H,1H3,(H,14,15)
InChIKeyFERSQMSCQYUMNN-UHFFFAOYSA-N
MW219.67 g/mol
LogP2.85
Rot. Bonds1

About 3-chloro-N-methylnaphthalene-2-carboxamide

3-chloro-N-methylnaphthalene-2-carboxamide (PubChem CID 133063253) has the molecular formula C12H10ClNO and a molecular weight of 219.67 g/mol. Its IUPAC name is 3-chloro-N-methylnaphthalene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-methylnaphthalene-2-carboxamide
PubChem CID133063253
Molecular FormulaC12H10ClNO
Molecular Weight219.67 g/mol
Exact Mass219.05
IUPAC Name3-chloro-N-methylnaphthalene-2-carboxamide
SMILESCNC(=O)c1cc2ccccc2cc1Cl
InChIInChI=1S/C12H10ClNO/c1-14-12(15)10-6-8-4-2-3-5-9(8)7-11(10)13/h2-7H,1H3,(H,14,15)
InChIKeyFERSQMSCQYUMNN-UHFFFAOYSA-N
XLogP2.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.67
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloronaphthalen-2-yl)ethanone
CID 131563737
3-iodo-N-methylnaphthalene-2-carboxamide
CID 133056320
3-chloronaphthalene-2-carboxylic acid;hydrochloride
CID 69376423
5-tert-butyl-2-chloro-N-methylbenzamide
CID 59485577
2-chloro-N,4-dimethylbenzamide;ethane
CID 143942674
ethyl 3-chloronaphthalene-2-carboxylate
CID 90487598
tert-butyl 3-chloronaphthalene-2-carboxylate
CID 133063668
N-methyl-2-oxo-1H-quinoline-3-carboxamide
CID 16613028
2-chloro-5-fluoro-N,4-dimethylbenzamide
CID 116827653
2-chloro-5-(3,5-dimethoxyphenyl)-N-methylbenzamide
CID 56715762
2-chloro-N-methyl-5-[(4-phenoxybenzoyl)amino]benzamide
CID 55835370
2-bromo-3-chloro-N-methylbenzamide
CID 69377341

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methylnaphthalene-2-carboxamide?
The IUPAC name of 3-chloro-N-methylnaphthalene-2-carboxamide (CID 133063253) is 3-chloro-N-methylnaphthalene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-methylnaphthalene-2-carboxamide?
The canonical SMILES for 3-chloro-N-methylnaphthalene-2-carboxamide is CNC(=O)c1cc2ccccc2cc1Cl.
What is the InChIKey of 3-chloro-N-methylnaphthalene-2-carboxamide?
The InChIKey is FERSQMSCQYUMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO/c1-14-12(15)10-6-8-4-2-3-5-9(8)7-11(10)13/h2-7H,1H3,(H,14,15).
What are the key properties of 3-chloro-N-methylnaphthalene-2-carboxamide?
3-chloro-N-methylnaphthalene-2-carboxamide has a molecular weight of 219.67 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methylnaphthalene-2-carboxamide is sourced from PubChem (CID 133063253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).