N-(2-bromoethyl)-3,5-dichloro-N-cyclohexylbenzamide

C15H18BrCl2NO — CID 80658625

IUPACN-(2-bromoethyl)-3,5-dichloro-N-cyclohexylbenzamide
SMILESO=C(c1cc(Cl)cc(Cl)c1)N(CCBr)C1CCCCC1
InChIInChI=1S/C15H18BrCl2NO/c16-6-7-19(14-4-2-1-3-5-14)15(20)11-8-12(17)10-13(18)9-11/h8-10,14H,1-7H2
InChIKeyLGFUSPMRYWCZMF-UHFFFAOYSA-N
MW379.13 g/mol
LogP5.16
Rot. Bonds4

About N-(2-bromoethyl)-3,5-dichloro-N-cyclohexylbenzamide

N-(2-bromoethyl)-3,5-dichloro-N-cyclohexylbenzamide (PubChem CID 80658625) has the molecular formula C15H18BrCl2NO and a molecular weight of 379.13 g/mol. Its IUPAC name is N-(2-bromoethyl)-3,5-dichloro-N-cyclohexylbenzamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-3,5-dichloro-N-cyclohexylbenzamide
PubChem CID80658625
Molecular FormulaC15H18BrCl2NO
Molecular Weight379.13 g/mol
Exact Mass376.99
IUPAC NameN-(2-bromoethyl)-3,5-dichloro-N-cyclohexylbenzamide
SMILESO=C(c1cc(Cl)cc(Cl)c1)N(CCBr)C1CCCCC1
InChIInChI=1S/C15H18BrCl2NO/c16-6-7-19(14-4-2-1-3-5-14)15(20)11-8-12(17)10-13(18)9-11/h8-10,14H,1-7H2
InChIKeyLGFUSPMRYWCZMF-UHFFFAOYSA-N
XLogP5.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.13
LogP ≤ 55.16
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

3,5-dichloro-N-(2-chloroethyl)-N-cyclohexylbenzamide
CID 63391653
3,5-dichloro-N-(2-chloroethyl)-N-cyclopentylbenzamide
CID 63391832
N-(2-bromoethyl)-3-chloro-N-cyclohexyl-4-fluorobenzamide
CID 82878746
3-bromo-N-(3-bromopropyl)-5-chloro-N-cyclobutylbenzamide
CID 107941502
3-chloro-N-(2-chloroethyl)-N-cyclohexyl-5-methylbenzamide
CID 81324250
3-bromo-N-(2-bromoethyl)-4-chloro-N-cyclopentylbenzamide
CID 107993678
3-bromo-N-(2-bromoethyl)-N-cyclopentyl-5-fluorobenzamide
CID 80658999
N-(2-bromoethyl)-N-cyclohexyl-5-methylfuran-3-carboxamide
CID 114823139
N-(2-bromoethyl)-4-chloro-N-cyclopentyl-2-hydroxybenzamide
CID 80658498
N-(2-bromoethyl)-N-cyclopentylpyrimidine-5-carboxamide
CID 102922719
N-(2-bromoethyl)-N-cyclobutyl-3-fluoro-5-methylbenzamide
CID 102873053
N-(2-bromoethyl)-2,5-dichloro-N-cyclopentylthiophene-3-carboxamide
CID 114021798

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-3,5-dichloro-N-cyclohexylbenzamide?
The IUPAC name of N-(2-bromoethyl)-3,5-dichloro-N-cyclohexylbenzamide (CID 80658625) is N-(2-bromoethyl)-3,5-dichloro-N-cyclohexylbenzamide.
What is the SMILES notation for N-(2-bromoethyl)-3,5-dichloro-N-cyclohexylbenzamide?
The canonical SMILES for N-(2-bromoethyl)-3,5-dichloro-N-cyclohexylbenzamide is O=C(c1cc(Cl)cc(Cl)c1)N(CCBr)C1CCCCC1.
What is the InChIKey of N-(2-bromoethyl)-3,5-dichloro-N-cyclohexylbenzamide?
The InChIKey is LGFUSPMRYWCZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrCl2NO/c16-6-7-19(14-4-2-1-3-5-14)15(20)11-8-12(17)10-13(18)9-11/h8-10,14H,1-7H2.
What are the key properties of N-(2-bromoethyl)-3,5-dichloro-N-cyclohexylbenzamide?
N-(2-bromoethyl)-3,5-dichloro-N-cyclohexylbenzamide has a molecular weight of 379.13 g/mol, XLogP of 5.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-3,5-dichloro-N-cyclohexylbenzamide is sourced from PubChem (CID 80658625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).