2-bromo-N-(3,4-dimethylcyclohexyl)-6-fluorobenzamide

C15H19BrFNO — CID 104578735

IUPAC2-bromo-N-(3,4-dimethylcyclohexyl)-6-fluorobenzamide
SMILESCC1CCC(NC(=O)c2c(F)cccc2Br)CC1C
InChIInChI=1S/C15H19BrFNO/c1-9-6-7-11(8-10(9)2)18-15(19)14-12(16)4-3-5-13(14)17/h3-5,9-11H,6-8H2,1-2H3,(H,18,19)
InChIKeyWWAFBFFJTJPPFL-UHFFFAOYSA-N
MW328.23 g/mol
LogP4.14
Rot. Bonds2

About 2-bromo-N-(3,4-dimethylcyclohexyl)-6-fluorobenzamide

2-bromo-N-(3,4-dimethylcyclohexyl)-6-fluorobenzamide (PubChem CID 104578735) has the molecular formula C15H19BrFNO and a molecular weight of 328.23 g/mol. Its IUPAC name is 2-bromo-N-(3,4-dimethylcyclohexyl)-6-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-(3,4-dimethylcyclohexyl)-6-fluorobenzamide
PubChem CID104578735
Molecular FormulaC15H19BrFNO
Molecular Weight328.23 g/mol
Exact Mass327.06
IUPAC Name2-bromo-N-(3,4-dimethylcyclohexyl)-6-fluorobenzamide
SMILESCC1CCC(NC(=O)c2c(F)cccc2Br)CC1C
InChIInChI=1S/C15H19BrFNO/c1-9-6-7-11(8-10(9)2)18-15(19)14-12(16)4-3-5-13(14)17/h3-5,9-11H,6-8H2,1-2H3,(H,18,19)
InChIKeyWWAFBFFJTJPPFL-UHFFFAOYSA-N
XLogP4.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.23
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-bromo-N-(3,4-dimethylcyclohexyl)-6-fluorobenzamide 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

2-bromo-N-(3,4-dimethylcyclohexyl)-4-fluorobenzamide
CID 64741558
2-bromo-6-fluoro-N-[(3S)-oxan-3-yl]benzamide
CID 97221363
3-[(2-fluoro-6-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 107013675
2,6-difluoro-N-(2-methylpiperidin-4-yl)benzamide
CID 106995199
cis-(1S,3R)-3-[(2-fluoro-6-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120675723
3-[(3,4-dimethylcyclohexyl)carbamoyl]benzoic acid
CID 64742565
2-fluoro-6-hydroxy-N-(3-methylcyclohexyl)benzamide
CID 104916812
2-bromo-N-cyclopropyl-6-methoxybenzamide
CID 171934573
N-(3,4-dimethylcyclohexyl)-3-iodobenzamide
CID 64743317
4-amino-N-(3,4-dimethylcyclohexyl)-3,5-difluorobenzamide
CID 64741481
5-amino-2-bromo-N-(3,4-dimethylcyclohexyl)benzamide
CID 64739491
N-(3,4-dimethylcyclohexyl)-2,3-difluoropyridine-4-carboxamide
CID 105381302

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3,4-dimethylcyclohexyl)-6-fluorobenzamide?
The IUPAC name of 2-bromo-N-(3,4-dimethylcyclohexyl)-6-fluorobenzamide (CID 104578735) is 2-bromo-N-(3,4-dimethylcyclohexyl)-6-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-(3,4-dimethylcyclohexyl)-6-fluorobenzamide?
The canonical SMILES for 2-bromo-N-(3,4-dimethylcyclohexyl)-6-fluorobenzamide is CC1CCC(NC(=O)c2c(F)cccc2Br)CC1C.
What is the InChIKey of 2-bromo-N-(3,4-dimethylcyclohexyl)-6-fluorobenzamide?
The InChIKey is WWAFBFFJTJPPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFNO/c1-9-6-7-11(8-10(9)2)18-15(19)14-12(16)4-3-5-13(14)17/h3-5,9-11H,6-8H2,1-2H3,(H,18,19).
What are the key properties of 2-bromo-N-(3,4-dimethylcyclohexyl)-6-fluorobenzamide?
2-bromo-N-(3,4-dimethylcyclohexyl)-6-fluorobenzamide has a molecular weight of 328.23 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3,4-dimethylcyclohexyl)-6-fluorobenzamide is sourced from PubChem (CID 104578735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).