2-bromo-N-(2-chloroethyl)-N-cyclopentyl-5-methoxybenzamide

C15H19BrClNO2 — CID 63391871

IUPAC2-bromo-N-(2-chloroethyl)-N-cyclopentyl-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)N(CCCl)C2CCCC2)c1
InChIInChI=1S/C15H19BrClNO2/c1-20-12-6-7-14(16)13(10-12)15(19)18(9-8-17)11-4-2-3-5-11/h6-7,10-11H,2-5,8-9H2,1H3
InChIKeyODHYRXYRTILTDE-UHFFFAOYSA-N
MW360.68 g/mol
LogP4.08
Rot. Bonds5

About 2-bromo-N-(2-chloroethyl)-N-cyclopentyl-5-methoxybenzamide

2-bromo-N-(2-chloroethyl)-N-cyclopentyl-5-methoxybenzamide (PubChem CID 63391871) has the molecular formula C15H19BrClNO2 and a molecular weight of 360.68 g/mol. Its IUPAC name is 2-bromo-N-(2-chloroethyl)-N-cyclopentyl-5-methoxybenzamide.

Molecular Properties

Compound Name2-bromo-N-(2-chloroethyl)-N-cyclopentyl-5-methoxybenzamide
PubChem CID63391871
Molecular FormulaC15H19BrClNO2
Molecular Weight360.68 g/mol
Exact Mass359.03
IUPAC Name2-bromo-N-(2-chloroethyl)-N-cyclopentyl-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)N(CCCl)C2CCCC2)c1
InChIInChI=1S/C15H19BrClNO2/c1-20-12-6-7-14(16)13(10-12)15(19)18(9-8-17)11-4-2-3-5-11/h6-7,10-11H,2-5,8-9H2,1H3
InChIKeyODHYRXYRTILTDE-UHFFFAOYSA-N
XLogP4.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.68
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-N-cyclopropyl-2-hydroxy-5-methoxybenzamide
CID 63394206
2-bromo-5-methoxy-N-piperidin-3-yl-N-propylbenzamide
CID 63638310
2-bromo-N-(2-chloroethyl)-N-cyclopentylbenzamide
CID 55187214
2-bromo-5-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 63300965
2-bromo-5-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119529988
2-bromo-N-cyclopropyl-5-methoxy-N-methylbenzamide
CID 55026519
N-(2-bromoethyl)-N-cyclopentyl-2,4-dimethoxybenzamide
CID 80652711
N-(3-bromopropyl)-N-cyclobutyl-2-hydroxy-5-methoxybenzamide
CID 102872287
2-amino-N-cyclobutyl-N-(3-hydroxypropyl)-5-methoxybenzamide
CID 102858713
3-bromo-N-(2-chloroethyl)-N-cyclobutyl-4-methoxybenzamide
CID 102872904
2-bromo-N-(3-chloropropyl)-N-ethyl-5-methoxybenzamide
CID 113469141
2-bromo-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-5-methoxybenzamide
CID 34576891

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-chloroethyl)-N-cyclopentyl-5-methoxybenzamide?
The IUPAC name of 2-bromo-N-(2-chloroethyl)-N-cyclopentyl-5-methoxybenzamide (CID 63391871) is 2-bromo-N-(2-chloroethyl)-N-cyclopentyl-5-methoxybenzamide.
What is the SMILES notation for 2-bromo-N-(2-chloroethyl)-N-cyclopentyl-5-methoxybenzamide?
The canonical SMILES for 2-bromo-N-(2-chloroethyl)-N-cyclopentyl-5-methoxybenzamide is COc1ccc(Br)c(C(=O)N(CCCl)C2CCCC2)c1.
What is the InChIKey of 2-bromo-N-(2-chloroethyl)-N-cyclopentyl-5-methoxybenzamide?
The InChIKey is ODHYRXYRTILTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrClNO2/c1-20-12-6-7-14(16)13(10-12)15(19)18(9-8-17)11-4-2-3-5-11/h6-7,10-11H,2-5,8-9H2,1H3.
What are the key properties of 2-bromo-N-(2-chloroethyl)-N-cyclopentyl-5-methoxybenzamide?
2-bromo-N-(2-chloroethyl)-N-cyclopentyl-5-methoxybenzamide has a molecular weight of 360.68 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-chloroethyl)-N-cyclopentyl-5-methoxybenzamide is sourced from PubChem (CID 63391871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).