N-(2-bromoethyl)-3-chloro-N-cyclohexyl-4-fluorobenzamide

C15H18BrClFNO — CID 82878746

IUPACN-(2-bromoethyl)-3-chloro-N-cyclohexyl-4-fluorobenzamide
SMILESO=C(c1ccc(F)c(Cl)c1)N(CCBr)C1CCCCC1
InChIInChI=1S/C15H18BrClFNO/c16-8-9-19(12-4-2-1-3-5-12)15(20)11-6-7-14(18)13(17)10-11/h6-7,10,12H,1-5,8-9H2
InChIKeyHMHHPXCNHCVOOW-UHFFFAOYSA-N
MW362.67 g/mol
LogP4.65
Rot. Bonds4

About N-(2-bromoethyl)-3-chloro-N-cyclohexyl-4-fluorobenzamide

N-(2-bromoethyl)-3-chloro-N-cyclohexyl-4-fluorobenzamide (PubChem CID 82878746) has the molecular formula C15H18BrClFNO and a molecular weight of 362.67 g/mol. Its IUPAC name is N-(2-bromoethyl)-3-chloro-N-cyclohexyl-4-fluorobenzamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-3-chloro-N-cyclohexyl-4-fluorobenzamide
PubChem CID82878746
Molecular FormulaC15H18BrClFNO
Molecular Weight362.67 g/mol
Exact Mass361.02
IUPAC NameN-(2-bromoethyl)-3-chloro-N-cyclohexyl-4-fluorobenzamide
SMILESO=C(c1ccc(F)c(Cl)c1)N(CCBr)C1CCCCC1
InChIInChI=1S/C15H18BrClFNO/c16-8-9-19(12-4-2-1-3-5-12)15(20)11-6-7-14(18)13(17)10-11/h6-7,10,12H,1-5,8-9H2
InChIKeyHMHHPXCNHCVOOW-UHFFFAOYSA-N
XLogP4.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.67
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2-bromoethyl)-3-chloro-N-cyclohexyl-4-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

3-bromo-N-(2-bromoethyl)-4-chloro-N-cyclopentylbenzamide
CID 107993678
N-(2-bromoethyl)-3,5-dichloro-N-cyclohexylbenzamide
CID 80658625
3-bromo-N-(2-chloroethyl)-N-cyclohexyl-4-fluorobenzamide
CID 107956554
N-(2-bromoethyl)-N-cyclobutyl-4-fluorobenzamide
CID 102873060
N-(3-bromopropyl)-3-chloro-N-cyclobutyl-4-iodobenzamide
CID 103212872
N-(3-bromopropyl)-4-chloro-N-cyclobutylbenzamide
CID 102872326
N-(2-bromoethyl)-N-cyclopentyl-4-(trifluoromethyl)benzamide
CID 80656410
N-(2-bromoethyl)-4-chloro-N-cyclopentyl-2-hydroxybenzamide
CID 80658498
N-(2-bromoethyl)-3-chloro-4-fluoro-N-propan-2-ylbenzamide
CID 82879335
N-(2-bromoethyl)-N-cyclopentyl-2-fluoro-5-methylbenzamide
CID 80659303
3-bromo-N-(3-bromopropyl)-4-chloro-N-cyclobutylbenzamide
CID 107994367
N-(2-bromoethyl)-2,6-dichloro-N-cyclopentylbenzamide
CID 80658796

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-3-chloro-N-cyclohexyl-4-fluorobenzamide?
The IUPAC name of N-(2-bromoethyl)-3-chloro-N-cyclohexyl-4-fluorobenzamide (CID 82878746) is N-(2-bromoethyl)-3-chloro-N-cyclohexyl-4-fluorobenzamide.
What is the SMILES notation for N-(2-bromoethyl)-3-chloro-N-cyclohexyl-4-fluorobenzamide?
The canonical SMILES for N-(2-bromoethyl)-3-chloro-N-cyclohexyl-4-fluorobenzamide is O=C(c1ccc(F)c(Cl)c1)N(CCBr)C1CCCCC1.
What is the InChIKey of N-(2-bromoethyl)-3-chloro-N-cyclohexyl-4-fluorobenzamide?
The InChIKey is HMHHPXCNHCVOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrClFNO/c16-8-9-19(12-4-2-1-3-5-12)15(20)11-6-7-14(18)13(17)10-11/h6-7,10,12H,1-5,8-9H2.
What are the key properties of N-(2-bromoethyl)-3-chloro-N-cyclohexyl-4-fluorobenzamide?
N-(2-bromoethyl)-3-chloro-N-cyclohexyl-4-fluorobenzamide has a molecular weight of 362.67 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-3-chloro-N-cyclohexyl-4-fluorobenzamide is sourced from PubChem (CID 82878746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).