N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-chlorophenyl)acetamide

C16H21ClN2O2 — CID 113171182

IUPACN-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-chlorophenyl)acetamide
SMILESCC(=O)N(CC(=O)N1CCCCCC1)c1ccccc1Cl
InChIInChI=1S/C16H21ClN2O2/c1-13(20)19(15-9-5-4-8-14(15)17)12-16(21)18-10-6-2-3-7-11-18/h4-5,8-9H,2-3,6-7,10-12H2,1H3
InChIKeyMKWCMMROPHODQT-UHFFFAOYSA-N
MW308.81 g/mol
LogP3.10
Rot. Bonds3

About N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-chlorophenyl)acetamide

N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-chlorophenyl)acetamide (PubChem CID 113171182) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-chlorophenyl)acetamide
PubChem CID113171182
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC NameN-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-chlorophenyl)acetamide
SMILESCC(=O)N(CC(=O)N1CCCCCC1)c1ccccc1Cl
InChIInChI=1S/C16H21ClN2O2/c1-13(20)19(15-9-5-4-8-14(15)17)12-16(21)18-10-6-2-3-7-11-18/h4-5,8-9H,2-3,6-7,10-12H2,1H3
InChIKeyMKWCMMROPHODQT-UHFFFAOYSA-N
XLogP3.10
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-chlorophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Phenylacetylglycine Dimethylamide
CID 19536
1-[4-(4-Chlorophenyl)piperazin-1-yl]ethan-1-one
CID 258327
Piperazine, 1-(3-chlorophenyl)-4-(1-oxobutyl)-
CID 3072306
3-(Azepan-1-yl)-4-chloro-1-(2-chlorophenyl)pyrrole-2,5-dione
CID 720510
N(O-Clph)-3-N'-piperidinoacetamide
CID 779151
2-(1-azepanyl)-N-(2,4,6-trichlorophenyl)acetamide
CID 972797
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-phenylacetamide
CID 2115027
2-(azepan-1-yl)-N-(4-chloro-2-fluorophenyl)acetamide
CID 4879550
N-(2-chlorophenyl)-2-[[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide
CID 4880320
N-(2-chlorophenyl)-2-(1-pyrrolidinyl)acetamide
CID 2212919
4-(Azepan-1-yl)-1-(4-chlorophenyl)-1,5-dihydro-2H-pyrrol-2-one
CID 11637867
3-Chloranyl-1-(2-chlorophenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione
CID 16654640

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-chlorophenyl)acetamide?
The IUPAC name of N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-chlorophenyl)acetamide (CID 113171182) is N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-chlorophenyl)acetamide.
What is the SMILES notation for N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-chlorophenyl)acetamide?
The canonical SMILES for N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-chlorophenyl)acetamide is CC(=O)N(CC(=O)N1CCCCCC1)c1ccccc1Cl.
What is the InChIKey of N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-chlorophenyl)acetamide?
The InChIKey is MKWCMMROPHODQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c1-13(20)19(15-9-5-4-8-14(15)17)12-16(21)18-10-6-2-3-7-11-18/h4-5,8-9H,2-3,6-7,10-12H2,1H3.
What are the key properties of N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-chlorophenyl)acetamide?
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-chlorophenyl)acetamide has a molecular weight of 308.81 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-chlorophenyl)acetamide is sourced from PubChem (CID 113171182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).