4-bromo-3-chloro-N-cyclohexylbenzamide

C13H15BrClNO — CID 81295345

IUPAC4-bromo-3-chloro-N-cyclohexylbenzamide
SMILESO=C(NC1CCCCC1)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C13H15BrClNO/c14-11-7-6-9(8-12(11)15)13(17)16-10-4-2-1-3-5-10/h6-8,10H,1-5H2,(H,16,17)
InChIKeyMROYDCPHAVOHAU-UHFFFAOYSA-N
MW316.63 g/mol
LogP4.16
Rot. Bonds2

About 4-bromo-3-chloro-N-cyclohexylbenzamide

4-bromo-3-chloro-N-cyclohexylbenzamide (PubChem CID 81295345) has the molecular formula C13H15BrClNO and a molecular weight of 316.63 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-cyclohexylbenzamide.

Molecular Properties

Compound Name4-bromo-3-chloro-N-cyclohexylbenzamide
PubChem CID81295345
Molecular FormulaC13H15BrClNO
Molecular Weight316.63 g/mol
Exact Mass315.00
IUPAC Name4-bromo-3-chloro-N-cyclohexylbenzamide
SMILESO=C(NC1CCCCC1)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C13H15BrClNO/c14-11-7-6-9(8-12(11)15)13(17)16-10-4-2-1-3-5-10/h6-8,10H,1-5H2,(H,16,17)
InChIKeyMROYDCPHAVOHAU-UHFFFAOYSA-N
XLogP4.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.63
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-bromo-3-chloro-N-cyclohexylbenzamide 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

3-bromo-4-chloro-N-cycloheptylbenzamide
CID 107999241
4-bromo-3-chloro-N-(4,4-dimethylcyclohexyl)benzamide
CID 81308376
4-bromo-3-chloro-N-(oxan-3-yl)benzamide
CID 81004514
4-bromo-3-chloro-N-cyclopent-3-en-1-ylbenzamide
CID 115703314
4-bromo-3-chloro-N-(4-propylcyclohexyl)benzamide
CID 81308175
N-(2-aminocyclohexyl)-4-bromo-3-chlorobenzamide
CID 81295465
4-bromo-N-cyclopentyl-3-methylbenzamide
CID 46738751
4-bromo-3-chloro-N-(2,3-dihydro-1H-inden-2-yl)benzamide
CID 107853184
4-bromo-3-chloro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
CID 80998387
3-chloro-N-cyclohexyl-4-methoxybenzamide
CID 56923251
4-bromo-N-cycloheptylbenzamide
CID 2843132
4-bromo-N-cyclooctylbenzamide
CID 902872

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-cyclohexylbenzamide?
The IUPAC name of 4-bromo-3-chloro-N-cyclohexylbenzamide (CID 81295345) is 4-bromo-3-chloro-N-cyclohexylbenzamide.
What is the SMILES notation for 4-bromo-3-chloro-N-cyclohexylbenzamide?
The canonical SMILES for 4-bromo-3-chloro-N-cyclohexylbenzamide is O=C(NC1CCCCC1)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 4-bromo-3-chloro-N-cyclohexylbenzamide?
The InChIKey is MROYDCPHAVOHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClNO/c14-11-7-6-9(8-12(11)15)13(17)16-10-4-2-1-3-5-10/h6-8,10H,1-5H2,(H,16,17).
What are the key properties of 4-bromo-3-chloro-N-cyclohexylbenzamide?
4-bromo-3-chloro-N-cyclohexylbenzamide has a molecular weight of 316.63 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-N-cyclohexylbenzamide is sourced from PubChem (CID 81295345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).