N-(5-bromo-4-fluoro-2-methylphenyl)azepane-1-carboxamide

C14H18BrFN2O — CID 103274750

IUPACN-(5-bromo-4-fluoro-2-methylphenyl)azepane-1-carboxamide
SMILESCc1cc(F)c(Br)cc1NC(=O)N1CCCCCC1
InChIInChI=1S/C14H18BrFN2O/c1-10-8-12(16)11(15)9-13(10)17-14(19)18-6-4-2-3-5-7-18/h8-9H,2-7H2,1H3,(H,17,19)
InChIKeyFNOHAWYXMMQYAR-UHFFFAOYSA-N
MW329.21 g/mol
LogP4.30
Rot. Bonds1

About N-(5-bromo-4-fluoro-2-methylphenyl)azepane-1-carboxamide

N-(5-bromo-4-fluoro-2-methylphenyl)azepane-1-carboxamide (PubChem CID 103274750) has the molecular formula C14H18BrFN2O and a molecular weight of 329.21 g/mol. Its IUPAC name is N-(5-bromo-4-fluoro-2-methylphenyl)azepane-1-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-4-fluoro-2-methylphenyl)azepane-1-carboxamide
PubChem CID103274750
Molecular FormulaC14H18BrFN2O
Molecular Weight329.21 g/mol
Exact Mass328.06
IUPAC NameN-(5-bromo-4-fluoro-2-methylphenyl)azepane-1-carboxamide
SMILESCc1cc(F)c(Br)cc1NC(=O)N1CCCCCC1
InChIInChI=1S/C14H18BrFN2O/c1-10-8-12(16)11(15)9-13(10)17-14(19)18-6-4-2-3-5-7-18/h8-9H,2-7H2,1H3,(H,17,19)
InChIKeyFNOHAWYXMMQYAR-UHFFFAOYSA-N
XLogP4.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.21
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(5-bromo-4-fluoro-2-methylphenyl)azepane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-bromo-2,5-difluorophenyl)piperidine-1-carboxamide
CID 107610837
1-(azepan-1-yl)-2-(5-bromo-4-fluoro-2-methylanilino)ethanone
CID 103238791
2-(5-bromo-4-fluoro-2-methylanilino)-1-pyrrolidin-1-ylethanone
CID 103238734
N-(4-bromo-5-fluoro-2-methylphenyl)-3,3-difluoropyrrolidine-1-carboxamide
CID 171916601
N-(5-bromo-4-fluoro-2-methylphenyl)piperidine-1-sulfonamide
CID 107592686
(3aS,6aR)-2-[(5-bromo-4-fluoro-2-methylphenyl)carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122091245
N-(2-methyl-4-sulfamoylphenyl)piperidine-1-carboxamide
CID 79155124
N-(2-fluoro-5-methylphenyl)pyrrolidine-1-carboxamide
CID 47032428
2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)acetamide
CID 107591747
3-(5-bromo-4-fluoro-2-methylphenyl)-1,1-dimethylurea
CID 103269164
N-(4-bromo-2,6-dimethylphenyl)azepane-1-carboxamide
CID 47223457
N-(2-bromo-4-chlorophenyl)piperidine-1-carboxamide
CID 81272029

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-fluoro-2-methylphenyl)azepane-1-carboxamide?
The IUPAC name of N-(5-bromo-4-fluoro-2-methylphenyl)azepane-1-carboxamide (CID 103274750) is N-(5-bromo-4-fluoro-2-methylphenyl)azepane-1-carboxamide.
What is the SMILES notation for N-(5-bromo-4-fluoro-2-methylphenyl)azepane-1-carboxamide?
The canonical SMILES for N-(5-bromo-4-fluoro-2-methylphenyl)azepane-1-carboxamide is Cc1cc(F)c(Br)cc1NC(=O)N1CCCCCC1.
What is the InChIKey of N-(5-bromo-4-fluoro-2-methylphenyl)azepane-1-carboxamide?
The InChIKey is FNOHAWYXMMQYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFN2O/c1-10-8-12(16)11(15)9-13(10)17-14(19)18-6-4-2-3-5-7-18/h8-9H,2-7H2,1H3,(H,17,19).
What are the key properties of N-(5-bromo-4-fluoro-2-methylphenyl)azepane-1-carboxamide?
N-(5-bromo-4-fluoro-2-methylphenyl)azepane-1-carboxamide has a molecular weight of 329.21 g/mol, XLogP of 4.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-fluoro-2-methylphenyl)azepane-1-carboxamide is sourced from PubChem (CID 103274750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).