N-(3-bromo-4-fluorophenyl)-2-(4-cyanophenyl)acetamide

C15H10BrFN2O — CID 115661346

IUPACN-(3-bromo-4-fluorophenyl)-2-(4-cyanophenyl)acetamide
SMILESN#Cc1ccc(CC(=O)Nc2ccc(F)c(Br)c2)cc1
InChIInChI=1S/C15H10BrFN2O/c16-13-8-12(5-6-14(13)17)19-15(20)7-10-1-3-11(9-18)4-2-10/h1-6,8H,7H2,(H,19,20)
InChIKeyDFDQXPYXQKPXNZ-UHFFFAOYSA-N
MW333.16 g/mol
LogP3.64
Rot. Bonds3

About N-(3-bromo-4-fluorophenyl)-2-(4-cyanophenyl)acetamide

N-(3-bromo-4-fluorophenyl)-2-(4-cyanophenyl)acetamide (PubChem CID 115661346) has the molecular formula C15H10BrFN2O and a molecular weight of 333.16 g/mol. Its IUPAC name is N-(3-bromo-4-fluorophenyl)-2-(4-cyanophenyl)acetamide.

Molecular Properties

Compound NameN-(3-bromo-4-fluorophenyl)-2-(4-cyanophenyl)acetamide
PubChem CID115661346
Molecular FormulaC15H10BrFN2O
Molecular Weight333.16 g/mol
Exact Mass332.00
IUPAC NameN-(3-bromo-4-fluorophenyl)-2-(4-cyanophenyl)acetamide
SMILESN#Cc1ccc(CC(=O)Nc2ccc(F)c(Br)c2)cc1
InChIInChI=1S/C15H10BrFN2O/c16-13-8-12(5-6-14(13)17)19-15(20)7-10-1-3-11(9-18)4-2-10/h1-6,8H,7H2,(H,19,20)
InChIKeyDFDQXPYXQKPXNZ-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

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Related Compounds

N-(3-bromo-4-methylphenyl)-2-(4-cyanophenyl)acetamide
CID 62404550
N-(3-bromo-4-fluorophenyl)-2-(4-hydroxyphenyl)acetamide
CID 113257060
N-(3-bromo-4-fluorophenyl)-2-cyanoacetamide
CID 104778645
2-(4-chlorophenyl)-N-(3-cyano-4-fluorophenyl)acetamide
CID 62316311
2-(3-bromo-4-fluorophenyl)-N-(3-chloro-4-fluorophenyl)acetamide
CID 47293530
N-(3-bromo-4-fluorophenyl)-5-cyanopyridine-2-carboxamide
CID 113245238
2-(4-cyanophenyl)-N-phenylacetamide
CID 12672919
2-(4-cyanophenyl)-N-(3-hydroxyphenyl)acetamide
CID 103827428
2-(4-cyanophenyl)-N-(2,6-difluorophenyl)acetamide
CID 62403831
2-(4-bromophenyl)-N-(3-cyanophenyl)acetamide
CID 2124999
N-(4-amino-3-bromophenyl)-2-(3,4-difluorophenyl)acetamide
CID 82861408
N-(3-bromo-4-fluorophenyl)-2-methoxyacetamide
CID 115661537

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-fluorophenyl)-2-(4-cyanophenyl)acetamide?
The IUPAC name of N-(3-bromo-4-fluorophenyl)-2-(4-cyanophenyl)acetamide (CID 115661346) is N-(3-bromo-4-fluorophenyl)-2-(4-cyanophenyl)acetamide.
What is the SMILES notation for N-(3-bromo-4-fluorophenyl)-2-(4-cyanophenyl)acetamide?
The canonical SMILES for N-(3-bromo-4-fluorophenyl)-2-(4-cyanophenyl)acetamide is N#Cc1ccc(CC(=O)Nc2ccc(F)c(Br)c2)cc1.
What is the InChIKey of N-(3-bromo-4-fluorophenyl)-2-(4-cyanophenyl)acetamide?
The InChIKey is DFDQXPYXQKPXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFN2O/c16-13-8-12(5-6-14(13)17)19-15(20)7-10-1-3-11(9-18)4-2-10/h1-6,8H,7H2,(H,19,20).
What are the key properties of N-(3-bromo-4-fluorophenyl)-2-(4-cyanophenyl)acetamide?
N-(3-bromo-4-fluorophenyl)-2-(4-cyanophenyl)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-(3-bromo-4-fluorophenyl)-2-(4-cyanophenyl)acetamide is sourced from PubChem (CID 115661346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).