2-(2-bromo-4,5-dimethoxyphenyl)-N-[4-(cyanomethyl)phenyl]acetamide

C18H17BrN2O3 — CID 9261034

IUPAC2-(2-bromo-4,5-dimethoxyphenyl)-N-[4-(cyanomethyl)phenyl]acetamide
SMILESCOc1cc(Br)c(CC(=O)Nc2ccc(CC#N)cc2)cc1OC
InChIInChI=1S/C18H17BrN2O3/c1-23-16-9-13(15(19)11-17(16)24-2)10-18(22)21-14-5-3-12(4-6-14)7-8-20/h3-6,9,11H,7,10H2,1-2H3,(H,21,22)
InChIKeyQWGTYDCIYIAAEL-UHFFFAOYSA-N
MW389.25 g/mol
LogP3.71
Rot. Bonds6

About 2-(2-bromo-4,5-dimethoxyphenyl)-N-[4-(cyanomethyl)phenyl]acetamide

2-(2-bromo-4,5-dimethoxyphenyl)-N-[4-(cyanomethyl)phenyl]acetamide (PubChem CID 9261034) has the molecular formula C18H17BrN2O3 and a molecular weight of 389.25 g/mol. Its IUPAC name is 2-(2-bromo-4,5-dimethoxyphenyl)-N-[4-(cyanomethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4,5-dimethoxyphenyl)-N-[4-(cyanomethyl)phenyl]acetamide
PubChem CID9261034
Molecular FormulaC18H17BrN2O3
Molecular Weight389.25 g/mol
Exact Mass388.04
IUPAC Name2-(2-bromo-4,5-dimethoxyphenyl)-N-[4-(cyanomethyl)phenyl]acetamide
SMILESCOc1cc(Br)c(CC(=O)Nc2ccc(CC#N)cc2)cc1OC
InChIInChI=1S/C18H17BrN2O3/c1-23-16-9-13(15(19)11-17(16)24-2)10-18(22)21-14-5-3-12(4-6-14)7-8-20/h3-6,9,11H,7,10H2,1-2H3,(H,21,22)
InChIKeyQWGTYDCIYIAAEL-UHFFFAOYSA-N
XLogP3.71
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.25
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[4-(cyanomethyl)anilino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 7604330
2-(4-acetamidophenyl)-N-[4-(cyanomethyl)phenyl]acetamide
CID 26375554
(5-bromo-2-methoxyphenyl)methyl-[2-[4-(cyanomethyl)anilino]-2-oxoethyl]-methylazanium
CID 9039741
2-(2-bromo-4,5-dimethoxyphenyl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 9369462
[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-[2-[4-(cyanomethyl)anilino]-2-oxoethyl]azanium
CID 9001662
3-(2-bromo-4,5-dimethoxyphenyl)-N-(4-butylphenyl)propanamide
CID 2071397
2-cyano-N-[[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]phenyl]methyl]acetamide
CID 108923308
N-[4-(cyanomethyl)phenyl]-2-phenylacetamide
CID 674697
3-(2-bromo-4,5-dimethoxyphenyl)-N-(4-methoxyphenyl)propanamide
CID 1406231
3-(2-bromo-4,5-dimethoxyphenyl)-N-(4-methylphenyl)propanamide
CID 1406214
N-(4-acetamidophenyl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide
CID 27648826
N-[4-(cyanomethyl)phenyl]-2-(4-sulfanylphenyl)acetamide
CID 107028125

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4,5-dimethoxyphenyl)-N-[4-(cyanomethyl)phenyl]acetamide?
The IUPAC name of 2-(2-bromo-4,5-dimethoxyphenyl)-N-[4-(cyanomethyl)phenyl]acetamide (CID 9261034) is 2-(2-bromo-4,5-dimethoxyphenyl)-N-[4-(cyanomethyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4,5-dimethoxyphenyl)-N-[4-(cyanomethyl)phenyl]acetamide?
The canonical SMILES for 2-(2-bromo-4,5-dimethoxyphenyl)-N-[4-(cyanomethyl)phenyl]acetamide is COc1cc(Br)c(CC(=O)Nc2ccc(CC#N)cc2)cc1OC.
What is the InChIKey of 2-(2-bromo-4,5-dimethoxyphenyl)-N-[4-(cyanomethyl)phenyl]acetamide?
The InChIKey is QWGTYDCIYIAAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O3/c1-23-16-9-13(15(19)11-17(16)24-2)10-18(22)21-14-5-3-12(4-6-14)7-8-20/h3-6,9,11H,7,10H2,1-2H3,(H,21,22).
What are the key properties of 2-(2-bromo-4,5-dimethoxyphenyl)-N-[4-(cyanomethyl)phenyl]acetamide?
2-(2-bromo-4,5-dimethoxyphenyl)-N-[4-(cyanomethyl)phenyl]acetamide has a molecular weight of 389.25 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4,5-dimethoxyphenyl)-N-[4-(cyanomethyl)phenyl]acetamide is sourced from PubChem (CID 9261034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).