2-bromo-N-(2-chloroethyl)-N-cyclopentylbenzamide

C14H17BrClNO — CID 55187214

IUPAC2-bromo-N-(2-chloroethyl)-N-cyclopentylbenzamide
SMILESO=C(c1ccccc1Br)N(CCCl)C1CCCC1
InChIInChI=1S/C14H17BrClNO/c15-13-8-4-3-7-12(13)14(18)17(10-9-16)11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6,9-10H2
InChIKeyLTZSRGJOOJLZQW-UHFFFAOYSA-N
MW330.65 g/mol
LogP4.07
Rot. Bonds4

About 2-bromo-N-(2-chloroethyl)-N-cyclopentylbenzamide

2-bromo-N-(2-chloroethyl)-N-cyclopentylbenzamide (PubChem CID 55187214) has the molecular formula C14H17BrClNO and a molecular weight of 330.65 g/mol. Its IUPAC name is 2-bromo-N-(2-chloroethyl)-N-cyclopentylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(2-chloroethyl)-N-cyclopentylbenzamide
PubChem CID55187214
Molecular FormulaC14H17BrClNO
Molecular Weight330.65 g/mol
Exact Mass329.02
IUPAC Name2-bromo-N-(2-chloroethyl)-N-cyclopentylbenzamide
SMILESO=C(c1ccccc1Br)N(CCCl)C1CCCC1
InChIInChI=1S/C14H17BrClNO/c15-13-8-4-3-7-12(13)14(18)17(10-9-16)11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6,9-10H2
InChIKeyLTZSRGJOOJLZQW-UHFFFAOYSA-N
XLogP4.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.65
LogP ≤ 54.07
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

2-bromo-N-(2-bromoethyl)-N-cyclobutylbenzamide
CID 102873258
2-bromo-N,N-dicyclopentylbenzamide
CID 67873213
2-bromo-N-(2-chloroethyl)-N-cyclopentyl-5-methoxybenzamide
CID 63391871
N-(2-chloroethyl)-N-cyclopentyl-2,3-dimethylbenzamide
CID 63391726
N-(2-amino-2-hydroxyiminoethyl)-2-bromo-N-cyclopentylbenzamide
CID 77044705
2-bromo-N-cycloheptyl-N-methylbenzamide
CID 43409214
4-bromo-N-(2-chloroethyl)-N-cyclopentylbenzamide
CID 63391545
N-(2-bromoethyl)-N-cyclopentyl-2-hydroxybenzamide
CID 80659305
3-chloro-N-(2-chloroethyl)-N-cyclobutyl-2-fluorobenzamide
CID 102872859
4-bromo-N-(2-chloroethyl)-N-cyclobutyl-2-hydroxybenzamide
CID 102872665
3-bromo-N-cyclohexyl-2-fluoro-N-(2-hydroxyethyl)benzamide
CID 106547829
N-(2-bromoethyl)-N-cyclopentyl-2-methylbenzamide
CID 80658813

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-chloroethyl)-N-cyclopentylbenzamide?
The IUPAC name of 2-bromo-N-(2-chloroethyl)-N-cyclopentylbenzamide (CID 55187214) is 2-bromo-N-(2-chloroethyl)-N-cyclopentylbenzamide.
What is the SMILES notation for 2-bromo-N-(2-chloroethyl)-N-cyclopentylbenzamide?
The canonical SMILES for 2-bromo-N-(2-chloroethyl)-N-cyclopentylbenzamide is O=C(c1ccccc1Br)N(CCCl)C1CCCC1.
What is the InChIKey of 2-bromo-N-(2-chloroethyl)-N-cyclopentylbenzamide?
The InChIKey is LTZSRGJOOJLZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClNO/c15-13-8-4-3-7-12(13)14(18)17(10-9-16)11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6,9-10H2.
What are the key properties of 2-bromo-N-(2-chloroethyl)-N-cyclopentylbenzamide?
2-bromo-N-(2-chloroethyl)-N-cyclopentylbenzamide has a molecular weight of 330.65 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-chloroethyl)-N-cyclopentylbenzamide is sourced from PubChem (CID 55187214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).