N-(2-bromo-4-methylphenyl)-2-(2-cyanoanilino)acetamide

C16H14BrN3O — CID 109010815

IUPACN-(2-bromo-4-methylphenyl)-2-(2-cyanoanilino)acetamide
SMILESCc1ccc(NC(=O)CNc2ccccc2C#N)c(Br)c1
InChIInChI=1S/C16H14BrN3O/c1-11-6-7-15(13(17)8-11)20-16(21)10-19-14-5-3-2-4-12(14)9-18/h2-8,19H,10H2,1H3,(H,20,21)
InChIKeyGDLVYSGNAVPEPK-UHFFFAOYSA-N
MW344.21 g/mol
LogP3.68
Rot. Bonds4

About N-(2-bromo-4-methylphenyl)-2-(2-cyanoanilino)acetamide

N-(2-bromo-4-methylphenyl)-2-(2-cyanoanilino)acetamide (PubChem CID 109010815) has the molecular formula C16H14BrN3O and a molecular weight of 344.21 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-(2-cyanoanilino)acetamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-(2-cyanoanilino)acetamide
PubChem CID109010815
Molecular FormulaC16H14BrN3O
Molecular Weight344.21 g/mol
Exact Mass343.03
IUPAC NameN-(2-bromo-4-methylphenyl)-2-(2-cyanoanilino)acetamide
SMILESCc1ccc(NC(=O)CNc2ccccc2C#N)c(Br)c1
InChIInChI=1S/C16H14BrN3O/c1-11-6-7-15(13(17)8-11)20-16(21)10-19-14-5-3-2-4-12(14)9-18/h2-8,19H,10H2,1H3,(H,20,21)
InChIKeyGDLVYSGNAVPEPK-UHFFFAOYSA-N
XLogP3.68
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromophenyl)-2-(2-cyanoanilino)acetamide
CID 28580893
2-(2-bromo-4-methylanilino)-N-(2-methylphenyl)acetamide
CID 42070082
2-(2-bromo-4-methylanilino)-N-(2-tert-butylphenyl)acetamide
CID 109008239
N-(2-bromophenyl)-2-(2,5-dimethylanilino)acetamide
CID 9079697
2-(4-bromo-2-methylanilino)-N-(2-bromo-4-methylphenyl)acetamide
CID 9106742
N-(2-cyanophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]acetamide
CID 113001871
N-(2-cyanophenyl)-2-(2,4-difluoroanilino)acetamide
CID 109011065
N,N'-bis(2-bromo-4-methylphenyl)butanediamide
CID 1039655
2-(4-bromo-2-fluoroanilino)-N-(2-bromo-4-methylphenyl)acetamide
CID 42125828
N-(2-cyanophenyl)-2-(2,3,4-trifluoroanilino)acetamide
CID 30716981
N-(2-cyanophenyl)-2-(methylamino)acetamide
CID 24697085
[2-(2-cyanoanilino)-2-oxoethyl] (E)-3-(2-bromo-4-methylphenyl)prop-2-enoate
CID 7881486

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-(2-cyanoanilino)acetamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-(2-cyanoanilino)acetamide (CID 109010815) is N-(2-bromo-4-methylphenyl)-2-(2-cyanoanilino)acetamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-(2-cyanoanilino)acetamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-(2-cyanoanilino)acetamide is Cc1ccc(NC(=O)CNc2ccccc2C#N)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-(2-cyanoanilino)acetamide?
The InChIKey is GDLVYSGNAVPEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O/c1-11-6-7-15(13(17)8-11)20-16(21)10-19-14-5-3-2-4-12(14)9-18/h2-8,19H,10H2,1H3,(H,20,21).
What are the key properties of N-(2-bromo-4-methylphenyl)-2-(2-cyanoanilino)acetamide?
N-(2-bromo-4-methylphenyl)-2-(2-cyanoanilino)acetamide has a molecular weight of 344.21 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-2-(2-cyanoanilino)acetamide is sourced from PubChem (CID 109010815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).