3-bromo-N-(2-chloroethyl)-N-cyclohexyl-4-fluorobenzamide

C15H18BrClFNO — CID 107956554

IUPAC3-bromo-N-(2-chloroethyl)-N-cyclohexyl-4-fluorobenzamide
SMILESO=C(c1ccc(F)c(Br)c1)N(CCCl)C1CCCCC1
InChIInChI=1S/C15H18BrClFNO/c16-13-10-11(6-7-14(13)18)15(20)19(9-8-17)12-4-2-1-3-5-12/h6-7,10,12H,1-5,8-9H2
InChIKeyNVUFACNWUIPBKG-UHFFFAOYSA-N
MW362.67 g/mol
LogP4.60
Rot. Bonds4

About 3-bromo-N-(2-chloroethyl)-N-cyclohexyl-4-fluorobenzamide

3-bromo-N-(2-chloroethyl)-N-cyclohexyl-4-fluorobenzamide (PubChem CID 107956554) has the molecular formula C15H18BrClFNO and a molecular weight of 362.67 g/mol. Its IUPAC name is 3-bromo-N-(2-chloroethyl)-N-cyclohexyl-4-fluorobenzamide.

Molecular Properties

Compound Name3-bromo-N-(2-chloroethyl)-N-cyclohexyl-4-fluorobenzamide
PubChem CID107956554
Molecular FormulaC15H18BrClFNO
Molecular Weight362.67 g/mol
Exact Mass361.02
IUPAC Name3-bromo-N-(2-chloroethyl)-N-cyclohexyl-4-fluorobenzamide
SMILESO=C(c1ccc(F)c(Br)c1)N(CCCl)C1CCCCC1
InChIInChI=1S/C15H18BrClFNO/c16-13-10-11(6-7-14(13)18)15(20)19(9-8-17)12-4-2-1-3-5-12/h6-7,10,12H,1-5,8-9H2
InChIKeyNVUFACNWUIPBKG-UHFFFAOYSA-N
XLogP4.60
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 ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-(3-chloropropyl)-N-cyclobutyl-4-fluorobenzamide
CID 107956894
3-bromo-N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)benzamide
CID 102684435
3-bromo-N-(2-chloroethyl)-N-cyclobutyl-4-methylbenzamide
CID 102872550
3-bromo-N-(cyanomethyl)-N-cyclopentyl-4-fluorobenzamide
CID 103707598
4-bromo-N-(2-chloroethyl)-N-cyclopentylbenzamide
CID 63391545
N-(2-chloroethyl)-N-cyclohexyl-3,4-dihydroxybenzamide
CID 107728945
3-bromo-N-(2-chloroethyl)-N-cyclobutyl-4-methoxybenzamide
CID 102872904
N-(2-bromoethyl)-3-chloro-N-cyclohexyl-4-fluorobenzamide
CID 82878746
N-(2-chloroethyl)-N-cyclopentyl-3,4-dihydroxybenzamide
CID 107728944
3,5-dichloro-N-(2-chloroethyl)-N-cyclohexylbenzamide
CID 63391653
N-(2-chloroethyl)-N-cyclohexyl-2,5-difluorobenzamide
CID 63391286
N-(azetidin-3-yl)-3-bromo-4-fluoro-N-propylbenzamide
CID 107956199

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-chloroethyl)-N-cyclohexyl-4-fluorobenzamide?
The IUPAC name of 3-bromo-N-(2-chloroethyl)-N-cyclohexyl-4-fluorobenzamide (CID 107956554) is 3-bromo-N-(2-chloroethyl)-N-cyclohexyl-4-fluorobenzamide.
What is the SMILES notation for 3-bromo-N-(2-chloroethyl)-N-cyclohexyl-4-fluorobenzamide?
The canonical SMILES for 3-bromo-N-(2-chloroethyl)-N-cyclohexyl-4-fluorobenzamide is O=C(c1ccc(F)c(Br)c1)N(CCCl)C1CCCCC1.
What is the InChIKey of 3-bromo-N-(2-chloroethyl)-N-cyclohexyl-4-fluorobenzamide?
The InChIKey is NVUFACNWUIPBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrClFNO/c16-13-10-11(6-7-14(13)18)15(20)19(9-8-17)12-4-2-1-3-5-12/h6-7,10,12H,1-5,8-9H2.
What are the key properties of 3-bromo-N-(2-chloroethyl)-N-cyclohexyl-4-fluorobenzamide?
3-bromo-N-(2-chloroethyl)-N-cyclohexyl-4-fluorobenzamide has a molecular weight of 362.67 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-chloroethyl)-N-cyclohexyl-4-fluorobenzamide is sourced from PubChem (CID 107956554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).