N-(5-bromo-2-cyanophenyl)-2-(4-fluorophenyl)acetamide

C15H10BrFN2O — CID 104880239

IUPACN-(5-bromo-2-cyanophenyl)-2-(4-fluorophenyl)acetamide
SMILESN#Cc1ccc(Br)cc1NC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C15H10BrFN2O/c16-12-4-3-11(9-18)14(8-12)19-15(20)7-10-1-5-13(17)6-2-10/h1-6,8H,7H2,(H,19,20)
InChIKeyLGDYYFSZVCIZKK-UHFFFAOYSA-N
MW333.16 g/mol
LogP3.64
Rot. Bonds3

About N-(5-bromo-2-cyanophenyl)-2-(4-fluorophenyl)acetamide

N-(5-bromo-2-cyanophenyl)-2-(4-fluorophenyl)acetamide (PubChem CID 104880239) has the molecular formula C15H10BrFN2O and a molecular weight of 333.16 g/mol. Its IUPAC name is N-(5-bromo-2-cyanophenyl)-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(5-bromo-2-cyanophenyl)-2-(4-fluorophenyl)acetamide
PubChem CID104880239
Molecular FormulaC15H10BrFN2O
Molecular Weight333.16 g/mol
Exact Mass332.00
IUPAC NameN-(5-bromo-2-cyanophenyl)-2-(4-fluorophenyl)acetamide
SMILESN#Cc1ccc(Br)cc1NC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C15H10BrFN2O/c16-12-4-3-11(9-18)14(8-12)19-15(20)7-10-1-5-13(17)6-2-10/h1-6,8H,7H2,(H,19,20)
InChIKeyLGDYYFSZVCIZKK-UHFFFAOYSA-N
XLogP3.64
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.16
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(5-bromo-2-cyanophenyl)-2-(4-fluorophenyl)acetamide 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

N-(5-bromo-2-cyanophenyl)-2-(2,4-difluorophenyl)acetamide
CID 104880226
N-(5-bromo-2-cyanophenyl)-2-(3,4-dichlorophenyl)acetamide
CID 104880469
N-(5-bromo-2-cyanophenyl)propanamide
CID 104880130
N-(5-bromo-2-cyanophenyl)-2-(3-chlorophenyl)acetamide
CID 104880434
2-[2-(aminomethyl)phenyl]-N-(5-bromo-2-cyanophenyl)acetamide
CID 107798189
N-(5-bromo-2-cyanophenyl)-2-methylsulfanylacetamide
CID 104880341
2-(azetidin-3-yl)-N-(5-bromo-2-cyanophenyl)acetamide
CID 107798290
2-(4-bromophenyl)-N-(2,4-difluorophenyl)acetamide
CID 884138
4-bromo-N-(5-bromo-2-cyanophenyl)benzamide
CID 104880230
2-(4-bromophenyl)-N-(4-fluoro-2-iodophenyl)acetamide
CID 79765971
N-(5-chloro-2-cyanophenyl)-2-(4-sulfanylphenyl)acetamide
CID 107031090
N-(5-bromo-2-morpholin-4-ylphenyl)-2-(4-fluorophenyl)acetamide
CID 55363743

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-cyanophenyl)-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-(5-bromo-2-cyanophenyl)-2-(4-fluorophenyl)acetamide (CID 104880239) is N-(5-bromo-2-cyanophenyl)-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-(5-bromo-2-cyanophenyl)-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-(5-bromo-2-cyanophenyl)-2-(4-fluorophenyl)acetamide is N#Cc1ccc(Br)cc1NC(=O)Cc1ccc(F)cc1.
What is the InChIKey of N-(5-bromo-2-cyanophenyl)-2-(4-fluorophenyl)acetamide?
The InChIKey is LGDYYFSZVCIZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFN2O/c16-12-4-3-11(9-18)14(8-12)19-15(20)7-10-1-5-13(17)6-2-10/h1-6,8H,7H2,(H,19,20).
What are the key properties of N-(5-bromo-2-cyanophenyl)-2-(4-fluorophenyl)acetamide?
N-(5-bromo-2-cyanophenyl)-2-(4-fluorophenyl)acetamide has a molecular weight of 333.16 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-cyanophenyl)-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 104880239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).