N-(5-carbamoyl-2-chlorophenyl)azepane-2-carboxamide

C14H18ClN3O2 — CID 64563989

IUPACN-(5-carbamoyl-2-chlorophenyl)azepane-2-carboxamide
SMILESNC(=O)c1ccc(Cl)c(NC(=O)C2CCCCCN2)c1
InChIInChI=1S/C14H18ClN3O2/c15-10-6-5-9(13(16)19)8-12(10)18-14(20)11-4-2-1-3-7-17-11/h5-6,8,11,17H,1-4,7H2,(H2,16,19)(H,18,20)
InChIKeyKRVQCEJWAKXMGA-UHFFFAOYSA-N
MW295.77 g/mol
LogP1.91
Rot. Bonds3

About N-(5-carbamoyl-2-chlorophenyl)azepane-2-carboxamide

N-(5-carbamoyl-2-chlorophenyl)azepane-2-carboxamide (PubChem CID 64563989) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is N-(5-carbamoyl-2-chlorophenyl)azepane-2-carboxamide.

Molecular Properties

Compound NameN-(5-carbamoyl-2-chlorophenyl)azepane-2-carboxamide
PubChem CID64563989
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC NameN-(5-carbamoyl-2-chlorophenyl)azepane-2-carboxamide
SMILESNC(=O)c1ccc(Cl)c(NC(=O)C2CCCCCN2)c1
InChIInChI=1S/C14H18ClN3O2/c15-10-6-5-9(13(16)19)8-12(10)18-14(20)11-4-2-1-3-7-17-11/h5-6,8,11,17H,1-4,7H2,(H2,16,19)(H,18,20)
InChIKeyKRVQCEJWAKXMGA-UHFFFAOYSA-N
XLogP1.91
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-carbamoyl-2-chlorophenyl)piperidine-2-carboxamide
CID 43701566
(2S)-N-(2-chloro-5-methylphenyl)piperidine-2-carboxamide
CID 103808460
5-[[(2R)-piperidine-2-carbonyl]amino]benzene-1,3-dicarboxamide
CID 104913671
(2R)-N-(2-chloro-5-nitrophenyl)piperidine-2-carboxamide
CID 104913032
(2R)-N-(2-chloro-5-methylsulfonylphenyl)piperidine-2-carboxamide
CID 104912877
(2S)-N-(2-chloro-5-methylphenyl)pyrrolidine-2-carboxamide
CID 103794561
N-(5-acetamido-2-chlorophenyl)pyrrolidine-2-carboxamide
CID 119280739
N-(2,3-dichlorophenyl)azepane-2-carboxamide
CID 64563193
(2S)-N-(4-carbamoyl-3-chlorophenyl)piperidine-2-carboxamide
CID 103808831
N-(3,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 42943662
N-(3-carbamoylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119270285
3-(azepane-2-carbonylamino)-4-methoxybenzoic acid
CID 64568363

Frequently Asked Questions

What is the IUPAC name of N-(5-carbamoyl-2-chlorophenyl)azepane-2-carboxamide?
The IUPAC name of N-(5-carbamoyl-2-chlorophenyl)azepane-2-carboxamide (CID 64563989) is N-(5-carbamoyl-2-chlorophenyl)azepane-2-carboxamide.
What is the SMILES notation for N-(5-carbamoyl-2-chlorophenyl)azepane-2-carboxamide?
The canonical SMILES for N-(5-carbamoyl-2-chlorophenyl)azepane-2-carboxamide is NC(=O)c1ccc(Cl)c(NC(=O)C2CCCCCN2)c1.
What is the InChIKey of N-(5-carbamoyl-2-chlorophenyl)azepane-2-carboxamide?
The InChIKey is KRVQCEJWAKXMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c15-10-6-5-9(13(16)19)8-12(10)18-14(20)11-4-2-1-3-7-17-11/h5-6,8,11,17H,1-4,7H2,(H2,16,19)(H,18,20).
What are the key properties of N-(5-carbamoyl-2-chlorophenyl)azepane-2-carboxamide?
N-(5-carbamoyl-2-chlorophenyl)azepane-2-carboxamide has a molecular weight of 295.77 g/mol, XLogP of 1.91, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-carbamoyl-2-chlorophenyl)azepane-2-carboxamide is sourced from PubChem (CID 64563989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).