N-(2-bromoethyl)-N-cyclopentyl-2,4-dimethoxybenzamide

C16H22BrNO3 — CID 80652711

IUPACN-(2-bromoethyl)-N-cyclopentyl-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N(CCBr)C2CCCC2)c(OC)c1
InChIInChI=1S/C16H22BrNO3/c1-20-13-7-8-14(15(11-13)21-2)16(19)18(10-9-17)12-5-3-4-6-12/h7-8,11-12H,3-6,9-10H2,1-2H3
InChIKeyAKSLSVNMWSCXND-UHFFFAOYSA-N
MW356.26 g/mol
LogP3.48
Rot. Bonds6

About N-(2-bromoethyl)-N-cyclopentyl-2,4-dimethoxybenzamide

N-(2-bromoethyl)-N-cyclopentyl-2,4-dimethoxybenzamide (PubChem CID 80652711) has the molecular formula C16H22BrNO3 and a molecular weight of 356.26 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclopentyl-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclopentyl-2,4-dimethoxybenzamide
PubChem CID80652711
Molecular FormulaC16H22BrNO3
Molecular Weight356.26 g/mol
Exact Mass355.08
IUPAC NameN-(2-bromoethyl)-N-cyclopentyl-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N(CCBr)C2CCCC2)c(OC)c1
InChIInChI=1S/C16H22BrNO3/c1-20-13-7-8-14(15(11-13)21-2)16(19)18(10-9-17)12-5-3-4-6-12/h7-8,11-12H,3-6,9-10H2,1-2H3
InChIKeyAKSLSVNMWSCXND-UHFFFAOYSA-N
XLogP3.48
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromoethyl)-N-cyclopropyl-2,5-dimethoxybenzamide
CID 80665946
4-bromo-N-(2-bromoethyl)-N-cyclopropyl-2-methoxybenzamide
CID 113296216
N-(2-bromoethyl)-N-cyclopropyl-2-hydroxy-5-methoxybenzamide
CID 80666154
N-(3-bromopropyl)-N-cyclobutyl-2-hydroxy-5-methoxybenzamide
CID 102872287
N-(2-bromoethyl)-N-cyclohexyl-3-methoxythiophene-2-carboxamide
CID 81129770
N-cyclobutyl-N-(3-hydroxypropyl)-2,5-dimethoxybenzamide
CID 102866390
2-bromo-N-(2-chloroethyl)-N-cyclopentyl-5-methoxybenzamide
CID 63391871
2,4-dimethoxy-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)benzamide
CID 90607312
N-cyclopentyl-2,4-dimethoxy-N-[(4-methoxy-3-propan-2-yloxyphenyl)methyl]benzamide
CID 42472057
2-amino-N-cyclohexyl-N-(2-hydroxyethyl)-4-methoxybenzamide
CID 115412770
N-(2-bromoethyl)-N-cyclopentyl-2-ethoxybenzamide
CID 80659872
4-chloro-N-cyclobutyl-N-(2-hydroxyethyl)-2-methoxybenzamide
CID 102867141

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-cyclopentyl-2,4-dimethoxybenzamide?
The IUPAC name of N-(2-bromoethyl)-N-cyclopentyl-2,4-dimethoxybenzamide (CID 80652711) is N-(2-bromoethyl)-N-cyclopentyl-2,4-dimethoxybenzamide.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclopentyl-2,4-dimethoxybenzamide?
The canonical SMILES for N-(2-bromoethyl)-N-cyclopentyl-2,4-dimethoxybenzamide is COc1ccc(C(=O)N(CCBr)C2CCCC2)c(OC)c1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclopentyl-2,4-dimethoxybenzamide?
The InChIKey is AKSLSVNMWSCXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO3/c1-20-13-7-8-14(15(11-13)21-2)16(19)18(10-9-17)12-5-3-4-6-12/h7-8,11-12H,3-6,9-10H2,1-2H3.
What are the key properties of N-(2-bromoethyl)-N-cyclopentyl-2,4-dimethoxybenzamide?
N-(2-bromoethyl)-N-cyclopentyl-2,4-dimethoxybenzamide has a molecular weight of 356.26 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-cyclopentyl-2,4-dimethoxybenzamide is sourced from PubChem (CID 80652711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).