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

C14H17BrClNO — CID 63391545

IUPAC4-bromo-N-(2-chloroethyl)-N-cyclopentylbenzamide
SMILESO=C(c1ccc(Br)cc1)N(CCCl)C1CCCC1
InChIInChI=1S/C14H17BrClNO/c15-12-7-5-11(6-8-12)14(18)17(10-9-16)13-3-1-2-4-13/h5-8,13H,1-4,9-10H2
InChIKeyVGIYKSIMVIMIAD-UHFFFAOYSA-N
MW330.65 g/mol
LogP4.07
Rot. Bonds4

About 4-bromo-N-(2-chloroethyl)-N-cyclopentylbenzamide

4-bromo-N-(2-chloroethyl)-N-cyclopentylbenzamide (PubChem CID 63391545) has the molecular formula C14H17BrClNO and a molecular weight of 330.65 g/mol. Its IUPAC name is 4-bromo-N-(2-chloroethyl)-N-cyclopentylbenzamide.

Molecular Properties

Compound Name4-bromo-N-(2-chloroethyl)-N-cyclopentylbenzamide
PubChem CID63391545
Molecular FormulaC14H17BrClNO
Molecular Weight330.65 g/mol
Exact Mass329.02
IUPAC Name4-bromo-N-(2-chloroethyl)-N-cyclopentylbenzamide
SMILESO=C(c1ccc(Br)cc1)N(CCCl)C1CCCC1
InChIInChI=1S/C14H17BrClNO/c15-12-7-5-11(6-8-12)14(18)17(10-9-16)13-3-1-2-4-13/h5-8,13H,1-4,9-10H2
InChIKeyVGIYKSIMVIMIAD-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

3,5-dibromo-N-(2-chloroethyl)-N-cyclobutylbenzamide
CID 107975422
4-bromo-N-cyclohexyl-N-hexylbenzamide
CID 54086681
N-(2-chloroethyl)-N-cyclopentyl-4-methylsulfonylbenzamide
CID 63391222
3-bromo-N-(2-chloroethyl)-N-cyclohexyl-4-fluorobenzamide
CID 107956554
N-(2-chloroethyl)-N-cyclopentyl-3,4-dihydroxybenzamide
CID 107728944
N-(2-chloroethyl)-N-cyclopropylbenzamide
CID 63394612
3-bromo-N-(2-chloroethyl)-N-cyclobutyl-4-methylbenzamide
CID 102872550
4-bromo-N-cyclohexyl-N-cyclopentylbenzamide
CID 19754888
N-(2-chloroethyl)-N-cyclohexyl-3,4-dihydroxybenzamide
CID 107728945
3-bromo-N-(2-chloroethyl)-N-cyclopropylbenzamide
CID 63394655
2-(4-bromophenyl)-N-(2-chloroethyl)-N-cyclobutylacetamide
CID 102872883
1-N,4-N-dicyclohexyl-1-N,4-N-bis(2-hydroxyethyl)benzene-1,4-dicarboxamide
CID 3317185

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-chloroethyl)-N-cyclopentylbenzamide?
The IUPAC name of 4-bromo-N-(2-chloroethyl)-N-cyclopentylbenzamide (CID 63391545) is 4-bromo-N-(2-chloroethyl)-N-cyclopentylbenzamide.
What is the SMILES notation for 4-bromo-N-(2-chloroethyl)-N-cyclopentylbenzamide?
The canonical SMILES for 4-bromo-N-(2-chloroethyl)-N-cyclopentylbenzamide is O=C(c1ccc(Br)cc1)N(CCCl)C1CCCC1.
What is the InChIKey of 4-bromo-N-(2-chloroethyl)-N-cyclopentylbenzamide?
The InChIKey is VGIYKSIMVIMIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClNO/c15-12-7-5-11(6-8-12)14(18)17(10-9-16)13-3-1-2-4-13/h5-8,13H,1-4,9-10H2.
What are the key properties of 4-bromo-N-(2-chloroethyl)-N-cyclopentylbenzamide?
4-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 4-bromo-N-(2-chloroethyl)-N-cyclopentylbenzamide is sourced from PubChem (CID 63391545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).