N-[cyano-(2,4-difluorophenyl)methyl]-4-phenylbenzamide

C21H14F2N2O — CID 56536876

IUPACN-[cyano-(2,4-difluorophenyl)methyl]-4-phenylbenzamide
SMILESN#CC(NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(F)cc1F
InChIInChI=1S/C21H14F2N2O/c22-17-10-11-18(19(23)12-17)20(13-24)25-21(26)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-12,20H,(H,25,26)
InChIKeyNEFRNXYJSIHUOP-UHFFFAOYSA-N
MW348.35 g/mol
LogP4.63
Rot. Bonds4

About N-[cyano-(2,4-difluorophenyl)methyl]-4-phenylbenzamide

N-[cyano-(2,4-difluorophenyl)methyl]-4-phenylbenzamide (PubChem CID 56536876) has the molecular formula C21H14F2N2O and a molecular weight of 348.35 g/mol. Its IUPAC name is N-[cyano-(2,4-difluorophenyl)methyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[cyano-(2,4-difluorophenyl)methyl]-4-phenylbenzamide
PubChem CID56536876
Molecular FormulaC21H14F2N2O
Molecular Weight348.35 g/mol
Exact Mass348.11
IUPAC NameN-[cyano-(2,4-difluorophenyl)methyl]-4-phenylbenzamide
SMILESN#CC(NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(F)cc1F
InChIInChI=1S/C21H14F2N2O/c22-17-10-11-18(19(23)12-17)20(13-24)25-21(26)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-12,20H,(H,25,26)
InChIKeyNEFRNXYJSIHUOP-UHFFFAOYSA-N
XLogP4.63
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(S)-cyano-(2,4-difluorophenyl)methyl]-1-phenylpyrazole-4-carboxamide
CID 95618021
N-[cyano-(2,4-difluorophenyl)methyl]-4-(2,5-dimethylpyrrol-1-yl)benzamide
CID 56584612
3-(benzenesulfonamido)-N-[cyano-(2,4-difluorophenyl)methyl]benzamide
CID 56585745
N-[cyano-(2-methylphenyl)methyl]-4-fluorobenzamide
CID 82123285
N-[cyano-(2,4-difluorophenyl)methyl]-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 56585394
N-[cyano-(2,4-difluorophenyl)methyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 56537065
N-[cyano-(4-fluorophenyl)methyl]benzamide
CID 78631246
N-[(S)-cyano-(2,4-difluorophenyl)methyl]-4-oxo-1H-cinnoline-3-carboxamide
CID 95771522
N-[(S)-cyano-(2-fluorophenyl)methyl]-4-(1,3-thiazol-4-yl)benzamide
CID 97051265
N-[cyano-(2,4-difluorophenyl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 56536954
N-[cyano-(2-methylphenyl)methyl]-3-fluorobenzamide
CID 82123284
(Z)-3-(2-chlorophenyl)-N-[cyano-(2,4-difluorophenyl)methyl]but-2-enamide
CID 86904225

Frequently Asked Questions

What is the IUPAC name of N-[cyano-(2,4-difluorophenyl)methyl]-4-phenylbenzamide?
The IUPAC name of N-[cyano-(2,4-difluorophenyl)methyl]-4-phenylbenzamide (CID 56536876) is N-[cyano-(2,4-difluorophenyl)methyl]-4-phenylbenzamide.
What is the SMILES notation for N-[cyano-(2,4-difluorophenyl)methyl]-4-phenylbenzamide?
The canonical SMILES for N-[cyano-(2,4-difluorophenyl)methyl]-4-phenylbenzamide is N#CC(NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(F)cc1F.
What is the InChIKey of N-[cyano-(2,4-difluorophenyl)methyl]-4-phenylbenzamide?
The InChIKey is NEFRNXYJSIHUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N2O/c22-17-10-11-18(19(23)12-17)20(13-24)25-21(26)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-12,20H,(H,25,26).
What are the key properties of N-[cyano-(2,4-difluorophenyl)methyl]-4-phenylbenzamide?
N-[cyano-(2,4-difluorophenyl)methyl]-4-phenylbenzamide has a molecular weight of 348.35 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano-(2,4-difluorophenyl)methyl]-4-phenylbenzamide is sourced from PubChem (CID 56536876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).