2-(azepan-1-yl)-N-(2-chlorophenyl)acetamide

C14H19ClN2O — CID 2070988

IUPAC2-(azepan-1-yl)-N-(2-chlorophenyl)acetamide
SMILESO=C(CN1CCCCCC1)Nc1ccccc1Cl
InChIInChI=1S/C14H19ClN2O/c15-12-7-3-4-8-13(12)16-14(18)11-17-9-5-1-2-6-10-17/h3-4,7-8H,1-2,5-6,9-11H2,(H,16,18)
InChIKeyZBUKTGHPKNYHGA-UHFFFAOYSA-N
MW266.77 g/mol
LogP3.15
Rot. Bonds3

About 2-(azepan-1-yl)-N-(2-chlorophenyl)acetamide

2-(azepan-1-yl)-N-(2-chlorophenyl)acetamide (PubChem CID 2070988) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-(2-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-(2-chlorophenyl)acetamide
PubChem CID2070988
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name2-(azepan-1-yl)-N-(2-chlorophenyl)acetamide
SMILESO=C(CN1CCCCCC1)Nc1ccccc1Cl
InChIInChI=1S/C14H19ClN2O/c15-12-7-3-4-8-13(12)16-14(18)11-17-9-5-1-2-6-10-17/h3-4,7-8H,1-2,5-6,9-11H2,(H,16,18)
InChIKeyZBUKTGHPKNYHGA-UHFFFAOYSA-N
XLogP3.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24832355
N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 22197633
N-(2-chlorophenyl)-2-[4-(2-chlorophenyl)piperazin-1-yl]acetamide
CID 2608315
N-(2-chlorophenyl)-2-(4-prop-2-ynylpiperazin-1-yl)acetamide
CID 47109715
2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 29161450
2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(cyclohexylmethyl)acetamide
CID 9434473
N-(2-chlorophenyl)-2-[4-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]piperazin-1-yl]acetamide
CID 29161558
N-(2-chlorophenyl)-2-(4-prop-2-enylpiperazin-1-yl)acetamide
CID 78795478
2-[(3R)-3-aminopiperidin-1-yl]-N-(2-chlorophenyl)acetamide
CID 102977528
N-(2-chlorophenyl)-2-[4-(3-methylbut-2-enyl)piperazin-1-yl]acetamide
CID 8800016
N-(2-chlorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62546007
4-chloro-3-[(2-piperidin-1-ylacetyl)amino]benzoic acid
CID 43659203

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-(2-chlorophenyl)acetamide?
The IUPAC name of 2-(azepan-1-yl)-N-(2-chlorophenyl)acetamide (CID 2070988) is 2-(azepan-1-yl)-N-(2-chlorophenyl)acetamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-(2-chlorophenyl)acetamide?
The canonical SMILES for 2-(azepan-1-yl)-N-(2-chlorophenyl)acetamide is O=C(CN1CCCCCC1)Nc1ccccc1Cl.
What is the InChIKey of 2-(azepan-1-yl)-N-(2-chlorophenyl)acetamide?
The InChIKey is ZBUKTGHPKNYHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c15-12-7-3-4-8-13(12)16-14(18)11-17-9-5-1-2-6-10-17/h3-4,7-8H,1-2,5-6,9-11H2,(H,16,18).
What are the key properties of 2-(azepan-1-yl)-N-(2-chlorophenyl)acetamide?
2-(azepan-1-yl)-N-(2-chlorophenyl)acetamide has a molecular weight of 266.77 g/mol, XLogP of 3.15, 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-(2-chlorophenyl)acetamide is sourced from PubChem (CID 2070988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).