2-bromo-N-(4-chlorocyclohexyl)-5-fluorobenzamide

C13H14BrClFNO — CID 113271719

IUPAC2-bromo-N-(4-chlorocyclohexyl)-5-fluorobenzamide
SMILESO=C(NC1CCC(Cl)CC1)c1cc(F)ccc1Br
InChIInChI=1S/C13H14BrClFNO/c14-12-6-3-9(16)7-11(12)13(18)17-10-4-1-8(15)2-5-10/h3,6-8,10H,1-2,4-5H2,(H,17,18)
InChIKeyARNNQORXZCHSMX-UHFFFAOYSA-N
MW334.62 g/mol
LogP3.87
Rot. Bonds2

About 2-bromo-N-(4-chlorocyclohexyl)-5-fluorobenzamide

2-bromo-N-(4-chlorocyclohexyl)-5-fluorobenzamide (PubChem CID 113271719) has the molecular formula C13H14BrClFNO and a molecular weight of 334.62 g/mol. Its IUPAC name is 2-bromo-N-(4-chlorocyclohexyl)-5-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-(4-chlorocyclohexyl)-5-fluorobenzamide
PubChem CID113271719
Molecular FormulaC13H14BrClFNO
Molecular Weight334.62 g/mol
Exact Mass332.99
IUPAC Name2-bromo-N-(4-chlorocyclohexyl)-5-fluorobenzamide
SMILESO=C(NC1CCC(Cl)CC1)c1cc(F)ccc1Br
InChIInChI=1S/C13H14BrClFNO/c14-12-6-3-9(16)7-11(12)13(18)17-10-4-1-8(15)2-5-10/h3,6-8,10H,1-2,4-5H2,(H,17,18)
InChIKeyARNNQORXZCHSMX-UHFFFAOYSA-N
XLogP3.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.62
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-bromo-N-(4-chlorocyclohexyl)-5-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

N-(4-aminocyclohexyl)-2-bromo-5-fluorobenzamide;hydrochloride
CID 119478924
N-(4-chlorocyclohexyl)-5-fluoro-2-hydroxybenzamide
CID 113281742
2-bromo-5-fluoro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79687966
2-bromo-N-(4-chlorocyclohexyl)-5-methoxybenzamide
CID 114296895
2-amino-N-cyclopropyl-5-fluorobenzamide
CID 22493342
2-bromo-N-cyclopentyl-4-fluorobenzamide
CID 9209126
2,4-dibromo-N-(4-chlorocyclohexyl)benzamide
CID 107941133
2-bromo-N-cyclooctyl-4-fluorobenzamide
CID 24693747
N-(2-aminocyclopropyl)-2-bromo-5-fluorobenzamide
CID 43593743
4-[(2-amino-5-fluorobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 61160859
4-[(2-bromo-5-chlorobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 103887689
N-(1-benzylpyrrolidin-3-yl)-2-bromo-5-fluorobenzamide
CID 18156414

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-chlorocyclohexyl)-5-fluorobenzamide?
The IUPAC name of 2-bromo-N-(4-chlorocyclohexyl)-5-fluorobenzamide (CID 113271719) is 2-bromo-N-(4-chlorocyclohexyl)-5-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-(4-chlorocyclohexyl)-5-fluorobenzamide?
The canonical SMILES for 2-bromo-N-(4-chlorocyclohexyl)-5-fluorobenzamide is O=C(NC1CCC(Cl)CC1)c1cc(F)ccc1Br.
What is the InChIKey of 2-bromo-N-(4-chlorocyclohexyl)-5-fluorobenzamide?
The InChIKey is ARNNQORXZCHSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrClFNO/c14-12-6-3-9(16)7-11(12)13(18)17-10-4-1-8(15)2-5-10/h3,6-8,10H,1-2,4-5H2,(H,17,18).
What are the key properties of 2-bromo-N-(4-chlorocyclohexyl)-5-fluorobenzamide?
2-bromo-N-(4-chlorocyclohexyl)-5-fluorobenzamide has a molecular weight of 334.62 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-chlorocyclohexyl)-5-fluorobenzamide is sourced from PubChem (CID 113271719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).