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

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Related Compounds

N-(2-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113171118
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-ethylphenyl)acetamide
CID 113169098
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-fluorophenyl)acetamide
CID 113170791
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-propan-2-ylphenyl)acetamide
CID 113169653
N-(2-methoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 113173112
N-[2-(azepan-1-yl)-2-oxoethyl]-N-phenylacetamide
CID 113167153
N-(2-oxo-2-pyrrolidin-1-ylethyl)-N-(2-propan-2-ylphenyl)acetamide
CID 113169578
N-(2-tert-butylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 113170396
N-(3-chloro-2-methylphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 113171712
N-[4-chloro-2-(trifluoromethyl)phenyl]-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 113179337
N-(2-chlorophenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113127019
N-(2,5-dichlorophenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113179693

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).