2-(2-bromo-4-cyanoanilino)-N-phenylacetamide

C15H12BrN3O — CID 107789540

IUPAC2-(2-bromo-4-cyanoanilino)-N-phenylacetamide
SMILESN#Cc1ccc(NCC(=O)Nc2ccccc2)c(Br)c1
InChIInChI=1S/C15H12BrN3O/c16-13-8-11(9-17)6-7-14(13)18-10-15(20)19-12-4-2-1-3-5-12/h1-8,18H,10H2,(H,19,20)
InChIKeyHXPMFLPXXIMSKM-UHFFFAOYSA-N
MW330.19 g/mol
LogP3.37
Rot. Bonds4

About 2-(2-bromo-4-cyanoanilino)-N-phenylacetamide

2-(2-bromo-4-cyanoanilino)-N-phenylacetamide (PubChem CID 107789540) has the molecular formula C15H12BrN3O and a molecular weight of 330.19 g/mol. Its IUPAC name is 2-(2-bromo-4-cyanoanilino)-N-phenylacetamide.

Molecular Properties

Compound Name2-(2-bromo-4-cyanoanilino)-N-phenylacetamide
PubChem CID107789540
Molecular FormulaC15H12BrN3O
Molecular Weight330.19 g/mol
Exact Mass329.02
IUPAC Name2-(2-bromo-4-cyanoanilino)-N-phenylacetamide
SMILESN#Cc1ccc(NCC(=O)Nc2ccccc2)c(Br)c1
InChIInChI=1S/C15H12BrN3O/c16-13-8-11(9-17)6-7-14(13)18-10-15(20)19-12-4-2-1-3-5-12/h1-8,18H,10H2,(H,19,20)
InChIKeyHXPMFLPXXIMSKM-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

Analyze 2-(2-bromo-4-cyanoanilino)-N-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-bromo-4-cyanoanilino)-N-(4-methylphenyl)acetamide
CID 107789712
2-(2-bromo-4-cyanoanilino)acetamide
CID 82797706
2-(2-bromo-4-cyanoanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 103865855
2-(5-cyano-2-methylanilino)-N-(3-methylphenyl)acetamide
CID 62060345
2-(2-bromo-4-cyanoanilino)-N-cycloheptylacetamide
CID 107789569
N-(3-bromophenyl)-2-(4-cyanoanilino)acetamide
CID 26437461
N-(3-cyanophenyl)-2-(2,4-difluoroanilino)acetamide
CID 109011066
N-(2-bromo-4-cyanophenyl)-2-cyanoacetamide
CID 107790761
2-(4-bromo-2,5-difluoroanilino)-N-phenylacetamide
CID 103843092
2-(2-bromo-4-cyanoanilino)-N-ethyl-N-methylacetamide
CID 104925790
2-(2-bromoanilino)-N-[4-(cyanomethyl)phenyl]acetamide
CID 42069262
ethyl 2-[(2-bromo-4-cyanoanilino)methyl]prop-2-enoate
CID 107791389

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-cyanoanilino)-N-phenylacetamide?
The IUPAC name of 2-(2-bromo-4-cyanoanilino)-N-phenylacetamide (CID 107789540) is 2-(2-bromo-4-cyanoanilino)-N-phenylacetamide.
What is the SMILES notation for 2-(2-bromo-4-cyanoanilino)-N-phenylacetamide?
The canonical SMILES for 2-(2-bromo-4-cyanoanilino)-N-phenylacetamide is N#Cc1ccc(NCC(=O)Nc2ccccc2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-cyanoanilino)-N-phenylacetamide?
The InChIKey is HXPMFLPXXIMSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O/c16-13-8-11(9-17)6-7-14(13)18-10-15(20)19-12-4-2-1-3-5-12/h1-8,18H,10H2,(H,19,20).
What are the key properties of 2-(2-bromo-4-cyanoanilino)-N-phenylacetamide?
2-(2-bromo-4-cyanoanilino)-N-phenylacetamide 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 2-(2-bromo-4-cyanoanilino)-N-phenylacetamide is sourced from PubChem (CID 107789540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).