2-(2-bromo-4,5-dimethoxyphenyl)-N-[(3-chlorophenyl)methyl]acetamide

C17H17BrClNO3 — CID 9209889

IUPAC2-(2-bromo-4,5-dimethoxyphenyl)-N-[(3-chlorophenyl)methyl]acetamide
SMILESCOc1cc(Br)c(CC(=O)NCc2cccc(Cl)c2)cc1OC
InChIInChI=1S/C17H17BrClNO3/c1-22-15-7-12(14(18)9-16(15)23-2)8-17(21)20-10-11-4-3-5-13(19)6-11/h3-7,9H,8,10H2,1-2H3,(H,20,21)
InChIKeyRCUHXRHIMGWHAW-UHFFFAOYSA-N
MW398.68 g/mol
LogP3.98
Rot. Bonds6

About 2-(2-bromo-4,5-dimethoxyphenyl)-N-[(3-chlorophenyl)methyl]acetamide

2-(2-bromo-4,5-dimethoxyphenyl)-N-[(3-chlorophenyl)methyl]acetamide (PubChem CID 9209889) has the molecular formula C17H17BrClNO3 and a molecular weight of 398.68 g/mol. Its IUPAC name is 2-(2-bromo-4,5-dimethoxyphenyl)-N-[(3-chlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4,5-dimethoxyphenyl)-N-[(3-chlorophenyl)methyl]acetamide
PubChem CID9209889
Molecular FormulaC17H17BrClNO3
Molecular Weight398.68 g/mol
Exact Mass397.01
IUPAC Name2-(2-bromo-4,5-dimethoxyphenyl)-N-[(3-chlorophenyl)methyl]acetamide
SMILESCOc1cc(Br)c(CC(=O)NCc2cccc(Cl)c2)cc1OC
InChIInChI=1S/C17H17BrClNO3/c1-22-15-7-12(14(18)9-16(15)23-2)8-17(21)20-10-11-4-3-5-13(19)6-11/h3-7,9H,8,10H2,1-2H3,(H,20,21)
InChIKeyRCUHXRHIMGWHAW-UHFFFAOYSA-N
XLogP3.98
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.68
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 710725
N-[(3-amino-4-methoxyphenyl)methyl]-2-(3-chlorophenyl)acetamide
CID 62503557
2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-[(3-chlorophenyl)methyl]acetamide
CID 7568660
2-(2-bromo-4,5-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide
CID 9192585
2-(2-bromo-4,5-dimethoxyphenyl)-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 9211024
N-[(3-chlorophenyl)methyl]-2-(2,6-dimethoxyphenoxy)acetamide
CID 51142104
N-[(3-chlorophenyl)methyl]-3,4,5-trimethoxybenzamide
CID 2681202
N-[(3-chlorophenyl)methyl]-2-methoxyacetamide
CID 60636717
4-chloro-N-[(3-chlorophenyl)methyl]-2-methoxybenzamide
CID 47449773
2-(3-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]acetamide
CID 110779915
2-(3-chlorophenyl)-N-[(5-fluoro-2-methoxyphenyl)methyl]acetamide
CID 110780207
N-[(3-chlorophenyl)methyl]propanamide
CID 17071125

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4,5-dimethoxyphenyl)-N-[(3-chlorophenyl)methyl]acetamide?
The IUPAC name of 2-(2-bromo-4,5-dimethoxyphenyl)-N-[(3-chlorophenyl)methyl]acetamide (CID 9209889) is 2-(2-bromo-4,5-dimethoxyphenyl)-N-[(3-chlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4,5-dimethoxyphenyl)-N-[(3-chlorophenyl)methyl]acetamide?
The canonical SMILES for 2-(2-bromo-4,5-dimethoxyphenyl)-N-[(3-chlorophenyl)methyl]acetamide is COc1cc(Br)c(CC(=O)NCc2cccc(Cl)c2)cc1OC.
What is the InChIKey of 2-(2-bromo-4,5-dimethoxyphenyl)-N-[(3-chlorophenyl)methyl]acetamide?
The InChIKey is RCUHXRHIMGWHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrClNO3/c1-22-15-7-12(14(18)9-16(15)23-2)8-17(21)20-10-11-4-3-5-13(19)6-11/h3-7,9H,8,10H2,1-2H3,(H,20,21).
What are the key properties of 2-(2-bromo-4,5-dimethoxyphenyl)-N-[(3-chlorophenyl)methyl]acetamide?
2-(2-bromo-4,5-dimethoxyphenyl)-N-[(3-chlorophenyl)methyl]acetamide has a molecular weight of 398.68 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4,5-dimethoxyphenyl)-N-[(3-chlorophenyl)methyl]acetamide is sourced from PubChem (CID 9209889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).