N-(2-bromophenyl)-2-(2-cyanoanilino)acetamide

C15H12BrN3O — CID 28580893

IUPACN-(2-bromophenyl)-2-(2-cyanoanilino)acetamide
SMILESN#Cc1ccccc1NCC(=O)Nc1ccccc1Br
InChIInChI=1S/C15H12BrN3O/c16-12-6-2-4-8-14(12)19-15(20)10-18-13-7-3-1-5-11(13)9-17/h1-8,18H,10H2,(H,19,20)
InChIKeyGHLYLFIPZXYBHT-UHFFFAOYSA-N
MW330.19 g/mol
LogP3.37
Rot. Bonds4

About N-(2-bromophenyl)-2-(2-cyanoanilino)acetamide

N-(2-bromophenyl)-2-(2-cyanoanilino)acetamide (PubChem CID 28580893) has the molecular formula C15H12BrN3O and a molecular weight of 330.19 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(2-cyanoanilino)acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(2-cyanoanilino)acetamide
PubChem CID28580893
Molecular FormulaC15H12BrN3O
Molecular Weight330.19 g/mol
Exact Mass329.02
IUPAC NameN-(2-bromophenyl)-2-(2-cyanoanilino)acetamide
SMILESN#Cc1ccccc1NCC(=O)Nc1ccccc1Br
InChIInChI=1S/C15H12BrN3O/c16-12-6-2-4-8-14(12)19-15(20)10-18-13-7-3-1-5-11(13)9-17/h1-8,18H,10H2,(H,19,20)
InChIKeyGHLYLFIPZXYBHT-UHFFFAOYSA-N
XLogP3.37
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.19
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-4-methylphenyl)-2-(2-cyanoanilino)acetamide
CID 109010815
N-(2-bromophenyl)-2-[[2-(2-cyanophenoxy)acetyl]amino]acetamide
CID 2555736
N-(2-cyanophenyl)-2-(2,3,4-trifluoroanilino)acetamide
CID 30716981
N-(2-cyanophenyl)-2-(methylamino)acetamide
CID 24697085
2-(4-acetamidoanilino)-N-(2-cyanophenyl)acetamide
CID 109010015
N-(2-cyanophenyl)-2-(2,4-difluoroanilino)acetamide
CID 109011065
2-(2-bromoanilino)-N-[2-(cyanomethylsulfanyl)phenyl]acetamide
CID 42069221
N-(2-bromophenyl)-2-(4-nitroanilino)acetamide
CID 4780880
N-(2-bromophenyl)-2-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]acetamide
CID 3318729
2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 26543564
N-(2-bromophenyl)-2-(2,5-dimethylanilino)acetamide
CID 9079697
methyl 2-[[2-(2-bromoanilino)-2-oxoethyl]amino]benzoate
CID 37472062

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(2-cyanoanilino)acetamide?
The IUPAC name of N-(2-bromophenyl)-2-(2-cyanoanilino)acetamide (CID 28580893) is N-(2-bromophenyl)-2-(2-cyanoanilino)acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(2-cyanoanilino)acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-(2-cyanoanilino)acetamide is N#Cc1ccccc1NCC(=O)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-2-(2-cyanoanilino)acetamide?
The InChIKey is GHLYLFIPZXYBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O/c16-12-6-2-4-8-14(12)19-15(20)10-18-13-7-3-1-5-11(13)9-17/h1-8,18H,10H2,(H,19,20).
What are the key properties of N-(2-bromophenyl)-2-(2-cyanoanilino)acetamide?
N-(2-bromophenyl)-2-(2-cyanoanilino)acetamide has a molecular weight of 330.19 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-(2-cyanoanilino)acetamide is sourced from PubChem (CID 28580893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).