N-[4-[(4-cyano-2-fluoroanilino)methyl]phenyl]acetamide

C16H14FN3O — CID 78916095

IUPACN-[4-[(4-cyano-2-fluoroanilino)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNc2ccc(C#N)cc2F)cc1
InChIInChI=1S/C16H14FN3O/c1-11(21)20-14-5-2-12(3-6-14)10-19-16-7-4-13(9-18)8-15(16)17/h2-8,19H,10H2,1H3,(H,20,21)
InChIKeyVVCFUUQUSDHTQO-UHFFFAOYSA-N
MW283.31 g/mol
LogP3.27
Rot. Bonds4

About N-[4-[(4-cyano-2-fluoroanilino)methyl]phenyl]acetamide

N-[4-[(4-cyano-2-fluoroanilino)methyl]phenyl]acetamide (PubChem CID 78916095) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is N-[4-[(4-cyano-2-fluoroanilino)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(4-cyano-2-fluoroanilino)methyl]phenyl]acetamide
PubChem CID78916095
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC NameN-[4-[(4-cyano-2-fluoroanilino)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNc2ccc(C#N)cc2F)cc1
InChIInChI=1S/C16H14FN3O/c1-11(21)20-14-5-2-12(3-6-14)10-19-16-7-4-13(9-18)8-15(16)17/h2-8,19H,10H2,1H3,(H,20,21)
InChIKeyVVCFUUQUSDHTQO-UHFFFAOYSA-N
XLogP3.27
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-(4-cyano-2-fluoroanilino)ethyl]phenyl]acetamide
CID 133287896
N-[4-[(2-chloro-4-cyanoanilino)methyl]phenyl]acetamide
CID 107807525
N-(4-cyano-2-fluorophenyl)acetamide
CID 11344323
3-fluoro-4-[(4-propoxyphenyl)methylamino]benzonitrile
CID 78916050
N-[4-[(4-fluoro-2-iodoanilino)methyl]phenyl]acetamide
CID 79768829
N-[3-chloro-4-[(3-cyanophenyl)methylamino]phenyl]acetamide
CID 71978101
4-[(3-bromo-4-methoxyphenyl)methylamino]-3-fluorobenzonitrile
CID 78916209
2-bromo-N-(4-cyano-2-fluorophenyl)-2-methylpropanamide
CID 114328975
N-[4-[(2-bromo-4-chloroanilino)methyl]phenyl]acetamide
CID 81264226
2-amino-5-[(4-cyanophenyl)methylamino]-4-fluorobenzoic acid
CID 62269481
4-[(2,6-dimethylphenyl)methylamino]-3-fluorobenzonitrile
CID 81333601
N-[4-(2-amino-4-cyanoanilino)phenyl]acetamide
CID 82486997

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-cyano-2-fluoroanilino)methyl]phenyl]acetamide?
The IUPAC name of N-[4-[(4-cyano-2-fluoroanilino)methyl]phenyl]acetamide (CID 78916095) is N-[4-[(4-cyano-2-fluoroanilino)methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(4-cyano-2-fluoroanilino)methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(4-cyano-2-fluoroanilino)methyl]phenyl]acetamide is CC(=O)Nc1ccc(CNc2ccc(C#N)cc2F)cc1.
What is the InChIKey of N-[4-[(4-cyano-2-fluoroanilino)methyl]phenyl]acetamide?
The InChIKey is VVCFUUQUSDHTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c1-11(21)20-14-5-2-12(3-6-14)10-19-16-7-4-13(9-18)8-15(16)17/h2-8,19H,10H2,1H3,(H,20,21).
What are the key properties of N-[4-[(4-cyano-2-fluoroanilino)methyl]phenyl]acetamide?
N-[4-[(4-cyano-2-fluoroanilino)methyl]phenyl]acetamide has a molecular weight of 283.31 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-cyano-2-fluoroanilino)methyl]phenyl]acetamide is sourced from PubChem (CID 78916095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).