N-[(4-cyano-2-fluorophenyl)methyl]-4-(2-methylpropyl)benzamide

C19H19FN2O — CID 86893384

IUPACN-[(4-cyano-2-fluorophenyl)methyl]-4-(2-methylpropyl)benzamide
SMILESCC(C)Cc1ccc(C(=O)NCc2ccc(C#N)cc2F)cc1
InChIInChI=1S/C19H19FN2O/c1-13(2)9-14-3-6-16(7-4-14)19(23)22-12-17-8-5-15(11-21)10-18(17)20/h3-8,10,13H,9,12H2,1-2H3,(H,22,23)
InChIKeyYVJFUMGNDOXZAI-UHFFFAOYSA-N
MW310.37 g/mol
LogP3.83
Rot. Bonds5

About N-[(4-cyano-2-fluorophenyl)methyl]-4-(2-methylpropyl)benzamide

N-[(4-cyano-2-fluorophenyl)methyl]-4-(2-methylpropyl)benzamide (PubChem CID 86893384) has the molecular formula C19H19FN2O and a molecular weight of 310.37 g/mol. Its IUPAC name is N-[(4-cyano-2-fluorophenyl)methyl]-4-(2-methylpropyl)benzamide.

Molecular Properties

Compound NameN-[(4-cyano-2-fluorophenyl)methyl]-4-(2-methylpropyl)benzamide
PubChem CID86893384
Molecular FormulaC19H19FN2O
Molecular Weight310.37 g/mol
Exact Mass310.15
IUPAC NameN-[(4-cyano-2-fluorophenyl)methyl]-4-(2-methylpropyl)benzamide
SMILESCC(C)Cc1ccc(C(=O)NCc2ccc(C#N)cc2F)cc1
InChIInChI=1S/C19H19FN2O/c1-13(2)9-14-3-6-16(7-4-14)19(23)22-12-17-8-5-15(11-21)10-18(17)20/h3-8,10,13H,9,12H2,1-2H3,(H,22,23)
InChIKeyYVJFUMGNDOXZAI-UHFFFAOYSA-N
XLogP3.83
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-cyano-2-fluorophenyl)methyl]-4-ethylbenzamide
CID 63359701
N-[(4-cyano-2-fluorophenyl)methyl]-4-methylpentanamide
CID 55191081
N-[(4-cyano-2-fluorophenyl)methyl]-1H-pyrazole-4-carboxamide
CID 63359657
3-bromo-N-[(4-cyano-2-fluorophenyl)methyl]benzamide
CID 63359606
4-cyano-N-[(2-fluorophenyl)methyl]benzamide
CID 4798282
N-[(4-cyano-2-hydroxyphenyl)methyl]-4-fluoro-3-methylbenzamide
CID 58653870
2,6-dichloro-N-[(4-cyano-2-fluorophenyl)methyl]benzamide
CID 63359520
N-[(4-cyano-2-fluorophenyl)methyl]-3,5,5-trimethylhexanamide
CID 63359559
methyl 2-[(4-cyano-2-fluorophenyl)methylsulfamoyl]propanoate
CID 63359222
N-[(4-cyano-2-fluorophenyl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 78944983
N-[(4-cyano-2-fluorophenyl)methyl]-2-thiophen-3-ylacetamide
CID 63359741
5-bromo-N-[(4-cyano-2-fluorophenyl)methyl]thiophene-2-carboxamide
CID 55190908

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyano-2-fluorophenyl)methyl]-4-(2-methylpropyl)benzamide?
The IUPAC name of N-[(4-cyano-2-fluorophenyl)methyl]-4-(2-methylpropyl)benzamide (CID 86893384) is N-[(4-cyano-2-fluorophenyl)methyl]-4-(2-methylpropyl)benzamide.
What is the SMILES notation for N-[(4-cyano-2-fluorophenyl)methyl]-4-(2-methylpropyl)benzamide?
The canonical SMILES for N-[(4-cyano-2-fluorophenyl)methyl]-4-(2-methylpropyl)benzamide is CC(C)Cc1ccc(C(=O)NCc2ccc(C#N)cc2F)cc1.
What is the InChIKey of N-[(4-cyano-2-fluorophenyl)methyl]-4-(2-methylpropyl)benzamide?
The InChIKey is YVJFUMGNDOXZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O/c1-13(2)9-14-3-6-16(7-4-14)19(23)22-12-17-8-5-15(11-21)10-18(17)20/h3-8,10,13H,9,12H2,1-2H3,(H,22,23).
What are the key properties of N-[(4-cyano-2-fluorophenyl)methyl]-4-(2-methylpropyl)benzamide?
N-[(4-cyano-2-fluorophenyl)methyl]-4-(2-methylpropyl)benzamide has a molecular weight of 310.37 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyano-2-fluorophenyl)methyl]-4-(2-methylpropyl)benzamide is sourced from PubChem (CID 86893384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).