2-(azepan-1-yl)-N-(3-chlorophenyl)-2-oxoacetamide

C14H17ClN2O2 — CID 47335488

IUPAC2-(azepan-1-yl)-N-(3-chlorophenyl)-2-oxoacetamide
SMILESO=C(Nc1cccc(Cl)c1)C(=O)N1CCCCCC1
InChIInChI=1S/C14H17ClN2O2/c15-11-6-5-7-12(10-11)16-13(18)14(19)17-8-3-1-2-4-9-17/h5-7,10H,1-4,8-9H2,(H,16,18)
InChIKeyKEAPMNCKIUGHHJ-UHFFFAOYSA-N
MW280.75 g/mol
LogP2.68
Rot. Bonds1

About 2-(azepan-1-yl)-N-(3-chlorophenyl)-2-oxoacetamide

2-(azepan-1-yl)-N-(3-chlorophenyl)-2-oxoacetamide (PubChem CID 47335488) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-(3-chlorophenyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-(3-chlorophenyl)-2-oxoacetamide
PubChem CID47335488
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC Name2-(azepan-1-yl)-N-(3-chlorophenyl)-2-oxoacetamide
SMILESO=C(Nc1cccc(Cl)c1)C(=O)N1CCCCCC1
InChIInChI=1S/C14H17ClN2O2/c15-11-6-5-7-12(10-11)16-13(18)14(19)17-8-3-1-2-4-9-17/h5-7,10H,1-4,8-9H2,(H,16,18)
InChIKeyKEAPMNCKIUGHHJ-UHFFFAOYSA-N
XLogP2.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(3,5-dichlorophenyl)-2-oxo-2-pyrrolidin-1-ylacetamide
CID 47335591
N-(3-acetylphenyl)-2-oxo-2-piperidin-1-ylacetamide
CID 2194073
3-(azepan-1-yl)-N-(3-chlorophenyl)-3-oxopropanamide
CID 108952689
N-(3-chlorophenyl)-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108972050
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-fluorophenyl)-2-oxoacetamide
CID 44902269
N-(2,4-dichlorophenyl)-2-oxo-2-piperidin-1-ylacetamide
CID 2194372
N-(2,6-dichlorophenyl)-2-oxo-2-pyrrolidin-1-ylacetamide
CID 3450597
1-[(3-chlorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 16777736
N-(3-chlorophenyl)-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide
CID 108516493
N-(3-chlorophenyl)-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetamide
CID 115745385
2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-chlorophenyl)acetamide
CID 34905366
N-(3-chlorophenyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-oxoacetamide
CID 110019344

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-(3-chlorophenyl)-2-oxoacetamide?
The IUPAC name of 2-(azepan-1-yl)-N-(3-chlorophenyl)-2-oxoacetamide (CID 47335488) is 2-(azepan-1-yl)-N-(3-chlorophenyl)-2-oxoacetamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-(3-chlorophenyl)-2-oxoacetamide?
The canonical SMILES for 2-(azepan-1-yl)-N-(3-chlorophenyl)-2-oxoacetamide is O=C(Nc1cccc(Cl)c1)C(=O)N1CCCCCC1.
What is the InChIKey of 2-(azepan-1-yl)-N-(3-chlorophenyl)-2-oxoacetamide?
The InChIKey is KEAPMNCKIUGHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c15-11-6-5-7-12(10-11)16-13(18)14(19)17-8-3-1-2-4-9-17/h5-7,10H,1-4,8-9H2,(H,16,18).
What are the key properties of 2-(azepan-1-yl)-N-(3-chlorophenyl)-2-oxoacetamide?
2-(azepan-1-yl)-N-(3-chlorophenyl)-2-oxoacetamide has a molecular weight of 280.75 g/mol, XLogP of 2.68, 1 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-chlorophenyl)-2-oxoacetamide is sourced from PubChem (CID 47335488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).