N-(3-bromo-4-methylphenyl)-2-(4-cyanophenyl)acetamide

C16H13BrN2O — CID 62404550

IUPACN-(3-bromo-4-methylphenyl)-2-(4-cyanophenyl)acetamide
SMILESCc1ccc(NC(=O)Cc2ccc(C#N)cc2)cc1Br
InChIInChI=1S/C16H13BrN2O/c1-11-2-7-14(9-15(11)17)19-16(20)8-12-3-5-13(10-18)6-4-12/h2-7,9H,8H2,1H3,(H,19,20)
InChIKeyIMOFJXMKZBBEOV-UHFFFAOYSA-N
MW329.20 g/mol
LogP3.81
Rot. Bonds3

About N-(3-bromo-4-methylphenyl)-2-(4-cyanophenyl)acetamide

N-(3-bromo-4-methylphenyl)-2-(4-cyanophenyl)acetamide (PubChem CID 62404550) has the molecular formula C16H13BrN2O and a molecular weight of 329.20 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-2-(4-cyanophenyl)acetamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-2-(4-cyanophenyl)acetamide
PubChem CID62404550
Molecular FormulaC16H13BrN2O
Molecular Weight329.20 g/mol
Exact Mass328.02
IUPAC NameN-(3-bromo-4-methylphenyl)-2-(4-cyanophenyl)acetamide
SMILESCc1ccc(NC(=O)Cc2ccc(C#N)cc2)cc1Br
InChIInChI=1S/C16H13BrN2O/c1-11-2-7-14(9-15(11)17)19-16(20)8-12-3-5-13(10-18)6-4-12/h2-7,9H,8H2,1H3,(H,19,20)
InChIKeyIMOFJXMKZBBEOV-UHFFFAOYSA-N
XLogP3.81
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromo-4-fluorophenyl)-2-(4-cyanophenyl)acetamide
CID 115661346
N-[2-(3-bromo-4-methylanilino)-2-oxoethyl]-2-(4-fluorophenyl)acetamide
CID 112998503
N-(3-bromo-4-methylphenyl)-2-chloroacetamide
CID 2110928
N-(3-bromo-4-methylphenyl)-2-(1H-pyrrol-3-yl)acetamide
CID 110769211
2-(4-bromophenyl)-N-(3,4-dimethylphenyl)acetamide
CID 2268328
2-(4-cyanophenyl)-N-phenylacetamide
CID 12672919
2-(4-cyanophenyl)-N-(3-hydroxyphenyl)acetamide
CID 103827428
3-(4-bromo-3-methylanilino)-N-(4-cyanophenyl)propanamide
CID 109042257
2-(4-bromophenyl)-N-(3-cyanophenyl)acetamide
CID 2124999
N-(4-cyanophenyl)-2-(4-methylsulfonylphenyl)acetamide
CID 110771370
N'-(3-chloro-4-methylphenyl)-N-(4-cyanophenyl)propanediamide
CID 108955295
N-(3-bromo-4-methylphenyl)-2-(cyclohexen-1-yl)acetamide
CID 63564030

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-2-(4-cyanophenyl)acetamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)-2-(4-cyanophenyl)acetamide (CID 62404550) is N-(3-bromo-4-methylphenyl)-2-(4-cyanophenyl)acetamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-2-(4-cyanophenyl)acetamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-2-(4-cyanophenyl)acetamide is Cc1ccc(NC(=O)Cc2ccc(C#N)cc2)cc1Br.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-2-(4-cyanophenyl)acetamide?
The InChIKey is IMOFJXMKZBBEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O/c1-11-2-7-14(9-15(11)17)19-16(20)8-12-3-5-13(10-18)6-4-12/h2-7,9H,8H2,1H3,(H,19,20).
What are the key properties of N-(3-bromo-4-methylphenyl)-2-(4-cyanophenyl)acetamide?
N-(3-bromo-4-methylphenyl)-2-(4-cyanophenyl)acetamide has a molecular weight of 329.20 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-2-(4-cyanophenyl)acetamide is sourced from PubChem (CID 62404550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).