2-(azepan-1-yl)-N-(3-chloro-4-methylphenyl)acetamide

C15H21ClN2O — CID 8895979

IUPAC2-(azepan-1-yl)-N-(3-chloro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2CCCCCC2)cc1Cl
InChIInChI=1S/C15H21ClN2O/c1-12-6-7-13(10-14(12)16)17-15(19)11-18-8-4-2-3-5-9-18/h6-7,10H,2-5,8-9,11H2,1H3,(H,17,19)
InChIKeyGOTZPUHYKBHYGG-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.46
Rot. Bonds3

About 2-(azepan-1-yl)-N-(3-chloro-4-methylphenyl)acetamide

2-(azepan-1-yl)-N-(3-chloro-4-methylphenyl)acetamide (PubChem CID 8895979) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-(3-chloro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-(3-chloro-4-methylphenyl)acetamide
PubChem CID8895979
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name2-(azepan-1-yl)-N-(3-chloro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2CCCCCC2)cc1Cl
InChIInChI=1S/C15H21ClN2O/c1-12-6-7-13(10-14(12)16)17-15(19)11-18-8-4-2-3-5-9-18/h6-7,10H,2-5,8-9,11H2,1H3,(H,17,19)
InChIKeyGOTZPUHYKBHYGG-UHFFFAOYSA-N
XLogP3.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(azepan-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 8895959
N-(3,5-dichloro-4-methylphenyl)-2-pyrrolidin-1-ylacetamide
CID 23555755
N-(3-chloro-4-methylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119923478
N-(3-amino-4-chlorophenyl)-2-(azepan-1-yl)acetamide
CID 16779269
N-(3-chloro-4-methylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
CID 8690802
N-(3-chloro-4-methylphenyl)-1-[2-(3,5-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909395
2-amino-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]acetamide
CID 119865183
N-(4-bromo-3-methylphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901793
N-(3-chloro-4-methylphenyl)-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108942043
methyl 1-[2-(3-chloro-4-methylanilino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 112731413
N-[6-[(3-chloro-4-methylphenyl)carbamoylamino]-2-methylquinolin-4-yl]-2-piperidin-1-ylacetamide
CID 44569659
N-(3-chloro-4-methylphenyl)-2-(3-methylpiperazin-1-yl)acetamide
CID 65448449

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-(3-chloro-4-methylphenyl)acetamide?
The IUPAC name of 2-(azepan-1-yl)-N-(3-chloro-4-methylphenyl)acetamide (CID 8895979) is 2-(azepan-1-yl)-N-(3-chloro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-(3-chloro-4-methylphenyl)acetamide?
The canonical SMILES for 2-(azepan-1-yl)-N-(3-chloro-4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN2CCCCCC2)cc1Cl.
What is the InChIKey of 2-(azepan-1-yl)-N-(3-chloro-4-methylphenyl)acetamide?
The InChIKey is GOTZPUHYKBHYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-12-6-7-13(10-14(12)16)17-15(19)11-18-8-4-2-3-5-9-18/h6-7,10H,2-5,8-9,11H2,1H3,(H,17,19).
What are the key properties of 2-(azepan-1-yl)-N-(3-chloro-4-methylphenyl)acetamide?
2-(azepan-1-yl)-N-(3-chloro-4-methylphenyl)acetamide has a molecular weight of 280.80 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-(3-chloro-4-methylphenyl)acetamide is sourced from PubChem (CID 8895979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).