2-bromo-N-(2-chlorocyclohexyl)benzamide

C13H15BrClNO — CID 114301050

IUPAC2-bromo-N-(2-chlorocyclohexyl)benzamide
SMILESO=C(NC1CCCCC1Cl)c1ccccc1Br
InChIInChI=1S/C13H15BrClNO/c14-10-6-2-1-5-9(10)13(17)16-12-8-4-3-7-11(12)15/h1-2,5-6,11-12H,3-4,7-8H2,(H,16,17)
InChIKeyLQLRYXLDWZFWMU-UHFFFAOYSA-N
MW316.63 g/mol
LogP3.73
Rot. Bonds2

About 2-bromo-N-(2-chlorocyclohexyl)benzamide

2-bromo-N-(2-chlorocyclohexyl)benzamide (PubChem CID 114301050) has the molecular formula C13H15BrClNO and a molecular weight of 316.63 g/mol. Its IUPAC name is 2-bromo-N-(2-chlorocyclohexyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(2-chlorocyclohexyl)benzamide
PubChem CID114301050
Molecular FormulaC13H15BrClNO
Molecular Weight316.63 g/mol
Exact Mass315.00
IUPAC Name2-bromo-N-(2-chlorocyclohexyl)benzamide
SMILESO=C(NC1CCCCC1Cl)c1ccccc1Br
InChIInChI=1S/C13H15BrClNO/c14-10-6-2-1-5-9(10)13(17)16-12-8-4-3-7-11(12)15/h1-2,5-6,11-12H,3-4,7-8H2,(H,16,17)
InChIKeyLQLRYXLDWZFWMU-UHFFFAOYSA-N
XLogP3.73
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 ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-bromo-N-(2-chlorocyclohexyl)benzamide 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

2,4-dibromo-N-(2-chlorocycloheptyl)benzamide
CID 107941355
2-bromo-N-(2-bromocyclopentyl)benzamide
CID 80662128
N-(2-chlorocyclohexyl)-2,3-dihydroxybenzamide
CID 114345275
2,3-dichloro-N-(2-chlorocyclopentyl)benzamide
CID 106443948
2-bromo-N-(2-chlorocyclopentyl)-4-fluorobenzamide
CID 106444049
4-bromo-N-(2-chlorocyclohexyl)-2-methylbenzamide
CID 113272606
5-bromo-N-(2-chlorocyclohexyl)-2-fluorobenzamide
CID 114301350
3-bromo-2-chloro-N-(2-hydroxycyclohexyl)benzamide
CID 110021575
4-bromo-N-(2-chlorocycloheptyl)-2-methylbenzamide
CID 113395058
2-bromo-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide
CID 43066709
2-bromo-N-(2-ethylsulfanylcyclopentyl)benzamide
CID 113249262
N-(2-chlorocyclohexyl)-2-fluoro-3-(trifluoromethyl)benzamide
CID 114301247

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-chlorocyclohexyl)benzamide?
The IUPAC name of 2-bromo-N-(2-chlorocyclohexyl)benzamide (CID 114301050) is 2-bromo-N-(2-chlorocyclohexyl)benzamide.
What is the SMILES notation for 2-bromo-N-(2-chlorocyclohexyl)benzamide?
The canonical SMILES for 2-bromo-N-(2-chlorocyclohexyl)benzamide is O=C(NC1CCCCC1Cl)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(2-chlorocyclohexyl)benzamide?
The InChIKey is LQLRYXLDWZFWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClNO/c14-10-6-2-1-5-9(10)13(17)16-12-8-4-3-7-11(12)15/h1-2,5-6,11-12H,3-4,7-8H2,(H,16,17).
What are the key properties of 2-bromo-N-(2-chlorocyclohexyl)benzamide?
2-bromo-N-(2-chlorocyclohexyl)benzamide has a molecular weight of 316.63 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-chlorocyclohexyl)benzamide is sourced from PubChem (CID 114301050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).