N-[(4-cyano-2-fluorophenyl)methyl]-4-ethylbenzamide

C17H15FN2O — CID 63359701

IUPACN-[(4-cyano-2-fluorophenyl)methyl]-4-ethylbenzamide
SMILESCCc1ccc(C(=O)NCc2ccc(C#N)cc2F)cc1
InChIInChI=1S/C17H15FN2O/c1-2-12-3-6-14(7-4-12)17(21)20-11-15-8-5-13(10-19)9-16(15)18/h3-9H,2,11H2,1H3,(H,20,21)
InChIKeyVCKLSWUVWFMOLJ-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.19
Rot. Bonds4

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

N-[(4-cyano-2-fluorophenyl)methyl]-4-ethylbenzamide (PubChem CID 63359701) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is N-[(4-cyano-2-fluorophenyl)methyl]-4-ethylbenzamide.

Molecular Properties

Compound NameN-[(4-cyano-2-fluorophenyl)methyl]-4-ethylbenzamide
PubChem CID63359701
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC NameN-[(4-cyano-2-fluorophenyl)methyl]-4-ethylbenzamide
SMILESCCc1ccc(C(=O)NCc2ccc(C#N)cc2F)cc1
InChIInChI=1S/C17H15FN2O/c1-2-12-3-6-14(7-4-12)17(21)20-11-15-8-5-13(10-19)9-16(15)18/h3-9H,2,11H2,1H3,(H,20,21)
InChIKeyVCKLSWUVWFMOLJ-UHFFFAOYSA-N
XLogP3.19
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-cyano-2-fluorophenyl)methyl]-4-(2-methylpropyl)benzamide
CID 86893384
3-bromo-N-[(4-cyano-2-fluorophenyl)methyl]benzamide
CID 63359606
4-[(4-ethylanilino)methyl]-3-fluorobenzonitrile
CID 28583209
N-[(4-cyano-2-fluorophenyl)methyl]-1H-pyrazole-4-carboxamide
CID 63359657
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]-2-(2-hydroxyphenyl)acetamide
CID 78944983
N-[(4-cyano-2-fluorophenyl)methyl]-2-thiophen-3-ylacetamide
CID 63359741
N-[(4-cyano-2-fluorophenyl)methyl]nonanamide
CID 63547890
5-bromo-N-[(4-cyano-2-fluorophenyl)methyl]thiophene-2-carboxamide
CID 55190908
5-bromo-N-[(4-cyano-2-fluorophenyl)methyl]-2-fluorobenzamide
CID 63359561

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyano-2-fluorophenyl)methyl]-4-ethylbenzamide?
The IUPAC name of N-[(4-cyano-2-fluorophenyl)methyl]-4-ethylbenzamide (CID 63359701) is N-[(4-cyano-2-fluorophenyl)methyl]-4-ethylbenzamide.
What is the SMILES notation for N-[(4-cyano-2-fluorophenyl)methyl]-4-ethylbenzamide?
The canonical SMILES for N-[(4-cyano-2-fluorophenyl)methyl]-4-ethylbenzamide is CCc1ccc(C(=O)NCc2ccc(C#N)cc2F)cc1.
What is the InChIKey of N-[(4-cyano-2-fluorophenyl)methyl]-4-ethylbenzamide?
The InChIKey is VCKLSWUVWFMOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O/c1-2-12-3-6-14(7-4-12)17(21)20-11-15-8-5-13(10-19)9-16(15)18/h3-9H,2,11H2,1H3,(H,20,21).
What are the key properties of N-[(4-cyano-2-fluorophenyl)methyl]-4-ethylbenzamide?
N-[(4-cyano-2-fluorophenyl)methyl]-4-ethylbenzamide has a molecular weight of 282.32 g/mol, XLogP of 3.19, 4 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-ethylbenzamide is sourced from PubChem (CID 63359701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).