N-(2-bromo-6-chloro-4-fluorophenyl)azepane-1-carboxamide

C13H15BrClFN2O — CID 103578333

IUPACN-(2-bromo-6-chloro-4-fluorophenyl)azepane-1-carboxamide
SMILESO=C(Nc1c(Cl)cc(F)cc1Br)N1CCCCCC1
InChIInChI=1S/C13H15BrClFN2O/c14-10-7-9(16)8-11(15)12(10)17-13(19)18-5-3-1-2-4-6-18/h7-8H,1-6H2,(H,17,19)
InChIKeyQGGMNEHJCZSQAV-UHFFFAOYSA-N
MW349.63 g/mol
LogP4.65
Rot. Bonds1

About N-(2-bromo-6-chloro-4-fluorophenyl)azepane-1-carboxamide

N-(2-bromo-6-chloro-4-fluorophenyl)azepane-1-carboxamide (PubChem CID 103578333) has the molecular formula C13H15BrClFN2O and a molecular weight of 349.63 g/mol. Its IUPAC name is N-(2-bromo-6-chloro-4-fluorophenyl)azepane-1-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-6-chloro-4-fluorophenyl)azepane-1-carboxamide
PubChem CID103578333
Molecular FormulaC13H15BrClFN2O
Molecular Weight349.63 g/mol
Exact Mass348.00
IUPAC NameN-(2-bromo-6-chloro-4-fluorophenyl)azepane-1-carboxamide
SMILESO=C(Nc1c(Cl)cc(F)cc1Br)N1CCCCCC1
InChIInChI=1S/C13H15BrClFN2O/c14-10-7-9(16)8-11(15)12(10)17-13(19)18-5-3-1-2-4-6-18/h7-8H,1-6H2,(H,17,19)
InChIKeyQGGMNEHJCZSQAV-UHFFFAOYSA-N
XLogP4.65
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.63
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-bromo-6-chloro-4-fluorophenyl)-2-(1,4-diazepan-1-yl)-2-oxoacetamide
CID 107614809
3,5-dichloro-4-(piperidine-1-carbonylamino)benzoic acid
CID 82830554
N-(4-amino-2,6-dibromophenyl)azepane-1-carboxamide
CID 79151818
1-[(2-bromo-4,6-difluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43347865
N-(2-bromo-6-chloro-4-fluorophenyl)prop-2-ynamide
CID 107612535
N-(3-chloro-5-fluorophenyl)azepane-1-carboxamide
CID 103774779
N-(2-bromo-6-chloro-4-fluorophenyl)azetidine-3-carboxamide
CID 107611945
1-[(2-bromo-4,6-difluorophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 43168350
N-(4-bromo-2,6-dimethylphenyl)azepane-1-carboxamide
CID 47223457
N-(2-bromo-6-chloro-4-fluorophenyl)piperidine-4-carboxamide
CID 107611969
N-(2-bromo-6-chloro-4-fluorophenyl)-2,2-dimethylpropanamide
CID 107612461
cyclopentyl N-(2-bromo-6-chloro-4-fluorophenyl)carbamate
CID 112738568

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)azepane-1-carboxamide?
The IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)azepane-1-carboxamide (CID 103578333) is N-(2-bromo-6-chloro-4-fluorophenyl)azepane-1-carboxamide.
What is the SMILES notation for N-(2-bromo-6-chloro-4-fluorophenyl)azepane-1-carboxamide?
The canonical SMILES for N-(2-bromo-6-chloro-4-fluorophenyl)azepane-1-carboxamide is O=C(Nc1c(Cl)cc(F)cc1Br)N1CCCCCC1.
What is the InChIKey of N-(2-bromo-6-chloro-4-fluorophenyl)azepane-1-carboxamide?
The InChIKey is QGGMNEHJCZSQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClFN2O/c14-10-7-9(16)8-11(15)12(10)17-13(19)18-5-3-1-2-4-6-18/h7-8H,1-6H2,(H,17,19).
What are the key properties of N-(2-bromo-6-chloro-4-fluorophenyl)azepane-1-carboxamide?
N-(2-bromo-6-chloro-4-fluorophenyl)azepane-1-carboxamide has a molecular weight of 349.63 g/mol, XLogP of 4.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-chloro-4-fluorophenyl)azepane-1-carboxamide is sourced from PubChem (CID 103578333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).