N-(2,3-dichlorophenyl)azepane-2-carboxamide

C13H16Cl2N2O — CID 64563193

IUPACN-(2,3-dichlorophenyl)azepane-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1Cl)C1CCCCCN1
InChIInChI=1S/C13H16Cl2N2O/c14-9-5-4-7-10(12(9)15)17-13(18)11-6-2-1-3-8-16-11/h4-5,7,11,16H,1-3,6,8H2,(H,17,18)
InChIKeyKXDZNOCSTHZRTJ-UHFFFAOYSA-N
MW287.19 g/mol
LogP3.46
Rot. Bonds2

About N-(2,3-dichlorophenyl)azepane-2-carboxamide

N-(2,3-dichlorophenyl)azepane-2-carboxamide (PubChem CID 64563193) has the molecular formula C13H16Cl2N2O and a molecular weight of 287.19 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)azepane-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)azepane-2-carboxamide
PubChem CID64563193
Molecular FormulaC13H16Cl2N2O
Molecular Weight287.19 g/mol
Exact Mass286.06
IUPAC NameN-(2,3-dichlorophenyl)azepane-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1Cl)C1CCCCCN1
InChIInChI=1S/C13H16Cl2N2O/c14-9-5-4-7-10(12(9)15)17-13(18)11-6-2-1-3-8-16-11/h4-5,7,11,16H,1-3,6,8H2,(H,17,18)
InChIKeyKXDZNOCSTHZRTJ-UHFFFAOYSA-N
XLogP3.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(2,3-dichlorophenyl)cyclohexanecarboxamide
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(2R)-N-(2-hydroxyphenyl)piperidine-2-carboxamide
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(2S)-N-[3-chloro-2-(dimethylamino)phenyl]pyrrolidine-2-carboxamide
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2-[2-(azepane-2-carbonylamino)phenyl]acetic acid
CID 64568355
(2S)-N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]piperidine-2-carboxamide
CID 104913077
N-(2-bromophenyl)piperidine-2-carboxamide
CID 18071832
N-[3-(2-chlorophenyl)-2-fluorophenyl]pyrrolidine-2-carboxamide
CID 123475195
N-(2,3-dichlorophenyl)cyclopropanecarboxamide
CID 4652086
(2R)-N-[2-chloro-6-(trifluoromethyl)phenyl]piperidine-2-carboxamide
CID 28951007
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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)azepane-2-carboxamide?
The IUPAC name of N-(2,3-dichlorophenyl)azepane-2-carboxamide (CID 64563193) is N-(2,3-dichlorophenyl)azepane-2-carboxamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)azepane-2-carboxamide?
The canonical SMILES for N-(2,3-dichlorophenyl)azepane-2-carboxamide is O=C(Nc1cccc(Cl)c1Cl)C1CCCCCN1.
What is the InChIKey of N-(2,3-dichlorophenyl)azepane-2-carboxamide?
The InChIKey is KXDZNOCSTHZRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O/c14-9-5-4-7-10(12(9)15)17-13(18)11-6-2-1-3-8-16-11/h4-5,7,11,16H,1-3,6,8H2,(H,17,18).
What are the key properties of N-(2,3-dichlorophenyl)azepane-2-carboxamide?
N-(2,3-dichlorophenyl)azepane-2-carboxamide has a molecular weight of 287.19 g/mol, XLogP of 3.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)azepane-2-carboxamide is sourced from PubChem (CID 64563193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).