N-[4-(cyanomethyl)phenyl]-3-fluoro-2-(methylamino)benzamide

C16H14FN3O — CID 62662482

IUPACN-[4-(cyanomethyl)phenyl]-3-fluoro-2-(methylamino)benzamide
SMILESCNc1c(F)cccc1C(=O)Nc1ccc(CC#N)cc1
InChIInChI=1S/C16H14FN3O/c1-19-15-13(3-2-4-14(15)17)16(21)20-12-7-5-11(6-8-12)9-10-18/h2-8,19H,9H2,1H3,(H,20,21)
InChIKeyIFJUDQWIFUVGFV-UHFFFAOYSA-N
MW283.31 g/mol
LogP3.19
Rot. Bonds4

About N-[4-(cyanomethyl)phenyl]-3-fluoro-2-(methylamino)benzamide

N-[4-(cyanomethyl)phenyl]-3-fluoro-2-(methylamino)benzamide (PubChem CID 62662482) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is N-[4-(cyanomethyl)phenyl]-3-fluoro-2-(methylamino)benzamide.

Molecular Properties

Compound NameN-[4-(cyanomethyl)phenyl]-3-fluoro-2-(methylamino)benzamide
PubChem CID62662482
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC NameN-[4-(cyanomethyl)phenyl]-3-fluoro-2-(methylamino)benzamide
SMILESCNc1c(F)cccc1C(=O)Nc1ccc(CC#N)cc1
InChIInChI=1S/C16H14FN3O/c1-19-15-13(3-2-4-14(15)17)16(21)20-12-7-5-11(6-8-12)9-10-18/h2-8,19H,9H2,1H3,(H,20,21)
InChIKeyIFJUDQWIFUVGFV-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-(4-fluorophenyl)-2-(methylamino)benzamide
CID 62648773
N-[4-(cyanomethyl)phenyl]-2-hydroxy-3-methylbenzamide
CID 60682495
N-[4-(cyanomethyl)phenyl]-2-methylsulfanylbenzamide
CID 2229918
N-[4-(cyanomethyl)phenyl]-2-fluoro-5-methylbenzamide
CID 62515692
N-(3,5-difluorophenyl)-3-fluoro-2-(methylamino)benzamide
CID 62650098
N-[4-(cyanomethyl)phenyl]-2-methylpyridine-3-carboxamide
CID 78950821
N-(4-cyanophenyl)-3-fluoro-2-hydrazinylbenzamide
CID 62660804
N-[4-(cyanomethyl)phenyl]-2,6-difluoro-3-methylbenzamide
CID 82797666
N-(2-cyano-4-fluorophenyl)-3-fluoro-2-(methylamino)benzamide
CID 82682867
3-fluoro-2-(methylamino)-N-(2,4,5-trifluorophenyl)benzamide
CID 62808855
N-[4-(cyanomethyl)phenyl]-6-(methylamino)pyridine-3-carboxamide
CID 62302226
2-[[4-(cyanomethyl)phenyl]carbamoyl]pyridine-3-carboxylic acid
CID 63616249

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethyl)phenyl]-3-fluoro-2-(methylamino)benzamide?
The IUPAC name of N-[4-(cyanomethyl)phenyl]-3-fluoro-2-(methylamino)benzamide (CID 62662482) is N-[4-(cyanomethyl)phenyl]-3-fluoro-2-(methylamino)benzamide.
What is the SMILES notation for N-[4-(cyanomethyl)phenyl]-3-fluoro-2-(methylamino)benzamide?
The canonical SMILES for N-[4-(cyanomethyl)phenyl]-3-fluoro-2-(methylamino)benzamide is CNc1c(F)cccc1C(=O)Nc1ccc(CC#N)cc1.
What is the InChIKey of N-[4-(cyanomethyl)phenyl]-3-fluoro-2-(methylamino)benzamide?
The InChIKey is IFJUDQWIFUVGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c1-19-15-13(3-2-4-14(15)17)16(21)20-12-7-5-11(6-8-12)9-10-18/h2-8,19H,9H2,1H3,(H,20,21).
What are the key properties of N-[4-(cyanomethyl)phenyl]-3-fluoro-2-(methylamino)benzamide?
N-[4-(cyanomethyl)phenyl]-3-fluoro-2-(methylamino)benzamide has a molecular weight of 283.31 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethyl)phenyl]-3-fluoro-2-(methylamino)benzamide is sourced from PubChem (CID 62662482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).