N-(2-bromoethyl)-N-cyclopropyl-2,5-dimethoxybenzamide

C14H18BrNO3 — CID 80665946

IUPACN-(2-bromoethyl)-N-cyclopropyl-2,5-dimethoxybenzamide
SMILESCOc1ccc(OC)c(C(=O)N(CCBr)C2CC2)c1
InChIInChI=1S/C14H18BrNO3/c1-18-11-5-6-13(19-2)12(9-11)14(17)16(8-7-15)10-3-4-10/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyGDNZPTDBXRMGCY-UHFFFAOYSA-N
MW328.21 g/mol
LogP2.70
Rot. Bonds6

About N-(2-bromoethyl)-N-cyclopropyl-2,5-dimethoxybenzamide

N-(2-bromoethyl)-N-cyclopropyl-2,5-dimethoxybenzamide (PubChem CID 80665946) has the molecular formula C14H18BrNO3 and a molecular weight of 328.21 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclopropyl-2,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclopropyl-2,5-dimethoxybenzamide
PubChem CID80665946
Molecular FormulaC14H18BrNO3
Molecular Weight328.21 g/mol
Exact Mass327.05
IUPAC NameN-(2-bromoethyl)-N-cyclopropyl-2,5-dimethoxybenzamide
SMILESCOc1ccc(OC)c(C(=O)N(CCBr)C2CC2)c1
InChIInChI=1S/C14H18BrNO3/c1-18-11-5-6-13(19-2)12(9-11)14(17)16(8-7-15)10-3-4-10/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyGDNZPTDBXRMGCY-UHFFFAOYSA-N
XLogP2.70
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 52.70
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-hydroxy-5-methoxybenzamide
CID 80666154
N-(2-bromoethyl)-N-cyclopentyl-2,4-dimethoxybenzamide
CID 80652711
2-[cyclopropyl-(2,5-dimethoxybenzoyl)amino]acetic acid
CID 60826114
N-cyclobutyl-N-(3-hydroxypropyl)-2,5-dimethoxybenzamide
CID 102866390
4-bromo-N-(2-bromoethyl)-N-cyclopropyl-2-methoxybenzamide
CID 113296216
N-(3-bromopropyl)-N-cyclobutyl-2-hydroxy-5-methoxybenzamide
CID 102872287
N-(2-chloroethyl)-N-cyclopropyl-2-hydroxy-5-methoxybenzamide
CID 63394206
2-amino-N-cyclopropyl-5-methoxy-N-(3-methylbutyl)benzamide
CID 61105374
N-cyclopropyl-2-hydroxy-5-methoxy-N-(3-methylbutyl)benzamide
CID 115281180
2-bromo-N-(2-chloroethyl)-N-cyclopentyl-5-methoxybenzamide
CID 63391871
2-amino-N-cyclobutyl-N-(3-hydroxypropyl)-5-methoxybenzamide
CID 102858713
N-(2-bromoethyl)-N-cyclopropyl-2-fluoro-4-methylbenzamide
CID 80665330

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-cyclopropyl-2,5-dimethoxybenzamide?
The IUPAC name of N-(2-bromoethyl)-N-cyclopropyl-2,5-dimethoxybenzamide (CID 80665946) is N-(2-bromoethyl)-N-cyclopropyl-2,5-dimethoxybenzamide.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclopropyl-2,5-dimethoxybenzamide?
The canonical SMILES for N-(2-bromoethyl)-N-cyclopropyl-2,5-dimethoxybenzamide is COc1ccc(OC)c(C(=O)N(CCBr)C2CC2)c1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclopropyl-2,5-dimethoxybenzamide?
The InChIKey is GDNZPTDBXRMGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO3/c1-18-11-5-6-13(19-2)12(9-11)14(17)16(8-7-15)10-3-4-10/h5-6,9-10H,3-4,7-8H2,1-2H3.
What are the key properties of N-(2-bromoethyl)-N-cyclopropyl-2,5-dimethoxybenzamide?
N-(2-bromoethyl)-N-cyclopropyl-2,5-dimethoxybenzamide has a molecular weight of 328.21 g/mol, XLogP of 2.70, 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-cyclopropyl-2,5-dimethoxybenzamide is sourced from PubChem (CID 80665946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).