2-(2-bromoanilino)-N-[4-(cyanomethyl)phenyl]acetamide

C16H14BrN3O — CID 42069262

IUPAC2-(2-bromoanilino)-N-[4-(cyanomethyl)phenyl]acetamide
SMILESN#CCc1ccc(NC(=O)CNc2ccccc2Br)cc1
InChIInChI=1S/C16H14BrN3O/c17-14-3-1-2-4-15(14)19-11-16(21)20-13-7-5-12(6-8-13)9-10-18/h1-8,19H,9,11H2,(H,20,21)
InChIKeyQKADJTXIZWMHHA-UHFFFAOYSA-N
MW344.21 g/mol
LogP3.57
Rot. Bonds5

About 2-(2-bromoanilino)-N-[4-(cyanomethyl)phenyl]acetamide

2-(2-bromoanilino)-N-[4-(cyanomethyl)phenyl]acetamide (PubChem CID 42069262) has the molecular formula C16H14BrN3O and a molecular weight of 344.21 g/mol. Its IUPAC name is 2-(2-bromoanilino)-N-[4-(cyanomethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-bromoanilino)-N-[4-(cyanomethyl)phenyl]acetamide
PubChem CID42069262
Molecular FormulaC16H14BrN3O
Molecular Weight344.21 g/mol
Exact Mass343.03
IUPAC Name2-(2-bromoanilino)-N-[4-(cyanomethyl)phenyl]acetamide
SMILESN#CCc1ccc(NC(=O)CNc2ccccc2Br)cc1
InChIInChI=1S/C16H14BrN3O/c17-14-3-1-2-4-15(14)19-11-16(21)20-13-7-5-12(6-8-13)9-10-18/h1-8,19H,9,11H2,(H,20,21)
InChIKeyQKADJTXIZWMHHA-UHFFFAOYSA-N
XLogP3.57
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[4-(cyanomethyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide
CID 26543694
N-[4-(cyanomethyl)phenyl]-2-(3-methylanilino)acetamide
CID 51202790
N-(3-bromophenyl)-2-[4-(cyanomethyl)anilino]acetamide
CID 60661792
N-[4-(cyanomethyl)phenyl]-2-phenylacetamide
CID 674697
4-[[2-(2-bromoanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 42069174
N-[4-(cyanomethyl)phenyl]-2-[3-(hydroxymethyl)anilino]acetamide
CID 110878874
2-(2-bromoanilino)-N-[2-(cyanomethylsulfanyl)phenyl]acetamide
CID 42069221
N-(2-bromophenyl)-2-(2-cyanoanilino)acetamide
CID 28580893
2-cyano-N-[4-(cyanomethyl)phenyl]acetamide
CID 10655606
2-(2-bromo-4-cyanoanilino)-N-phenylacetamide
CID 107789540
N-[4-(cyanomethyl)phenyl]-2-(4-phenylphenyl)acetamide
CID 26374350
N-[4-(cyanomethyl)phenyl]-3,3-dimethylbutanamide
CID 55021427

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoanilino)-N-[4-(cyanomethyl)phenyl]acetamide?
The IUPAC name of 2-(2-bromoanilino)-N-[4-(cyanomethyl)phenyl]acetamide (CID 42069262) is 2-(2-bromoanilino)-N-[4-(cyanomethyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-bromoanilino)-N-[4-(cyanomethyl)phenyl]acetamide?
The canonical SMILES for 2-(2-bromoanilino)-N-[4-(cyanomethyl)phenyl]acetamide is N#CCc1ccc(NC(=O)CNc2ccccc2Br)cc1.
What is the InChIKey of 2-(2-bromoanilino)-N-[4-(cyanomethyl)phenyl]acetamide?
The InChIKey is QKADJTXIZWMHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O/c17-14-3-1-2-4-15(14)19-11-16(21)20-13-7-5-12(6-8-13)9-10-18/h1-8,19H,9,11H2,(H,20,21).
What are the key properties of 2-(2-bromoanilino)-N-[4-(cyanomethyl)phenyl]acetamide?
2-(2-bromoanilino)-N-[4-(cyanomethyl)phenyl]acetamide has a molecular weight of 344.21 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoanilino)-N-[4-(cyanomethyl)phenyl]acetamide is sourced from PubChem (CID 42069262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).