3-[(4-cyanophenyl)methylamino]-4-fluorobenzamide

C15H12FN3O — CID 43701025

IUPAC3-[(4-cyanophenyl)methylamino]-4-fluorobenzamide
SMILESN#Cc1ccc(CNc2cc(C(N)=O)ccc2F)cc1
InChIInChI=1S/C15H12FN3O/c16-13-6-5-12(15(18)20)7-14(13)19-9-11-3-1-10(8-17)2-4-11/h1-7,19H,9H2,(H2,18,20)
InChIKeyXXEDTCHKRDDPBJ-UHFFFAOYSA-N
MW269.28 g/mol
LogP2.41
Rot. Bonds4

About 3-[(4-cyanophenyl)methylamino]-4-fluorobenzamide

3-[(4-cyanophenyl)methylamino]-4-fluorobenzamide (PubChem CID 43701025) has the molecular formula C15H12FN3O and a molecular weight of 269.28 g/mol. Its IUPAC name is 3-[(4-cyanophenyl)methylamino]-4-fluorobenzamide.

Molecular Properties

Compound Name3-[(4-cyanophenyl)methylamino]-4-fluorobenzamide
PubChem CID43701025
Molecular FormulaC15H12FN3O
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC Name3-[(4-cyanophenyl)methylamino]-4-fluorobenzamide
SMILESN#Cc1ccc(CNc2cc(C(N)=O)ccc2F)cc1
InChIInChI=1S/C15H12FN3O/c16-13-6-5-12(15(18)20)7-14(13)19-9-11-3-1-10(8-17)2-4-11/h1-7,19H,9H2,(H2,18,20)
InChIKeyXXEDTCHKRDDPBJ-UHFFFAOYSA-N
XLogP2.41
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-carbamoyl-2-fluoroanilino)methyl]benzoic acid
CID 65348107
3-[(4-cyanophenyl)methylamino]-4-methoxybenzamide
CID 43735345
4-[(2,4,5-trifluoroanilino)methyl]benzamide
CID 62815712
4-fluoro-3-(pyrimidin-5-ylmethylamino)benzamide
CID 62760275
2-amino-5-[(4-cyanophenyl)methylamino]-4-fluorobenzoic acid
CID 62269481
4-fluoro-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]benzamide
CID 43701304
3-[(3-chloro-5-fluorophenyl)methylamino]-4-fluorobenzamide
CID 114452430
4-[(2-cyano-3-fluoroanilino)methyl]benzamide
CID 43399540
3-[[(4-cyanophenyl)methylamino]methyl]benzamide
CID 43664709
4-fluoro-3-[(3-fluoro-2-hydroxyphenyl)methylamino]benzamide
CID 115951237
4-fluoro-3-[(2,3,6-trichlorophenyl)methylamino]benzamide
CID 43783759
3-amino-4-[(3-cyanophenyl)methylamino]benzamide
CID 62312022

Frequently Asked Questions

What is the IUPAC name of 3-[(4-cyanophenyl)methylamino]-4-fluorobenzamide?
The IUPAC name of 3-[(4-cyanophenyl)methylamino]-4-fluorobenzamide (CID 43701025) is 3-[(4-cyanophenyl)methylamino]-4-fluorobenzamide.
What is the SMILES notation for 3-[(4-cyanophenyl)methylamino]-4-fluorobenzamide?
The canonical SMILES for 3-[(4-cyanophenyl)methylamino]-4-fluorobenzamide is N#Cc1ccc(CNc2cc(C(N)=O)ccc2F)cc1.
What is the InChIKey of 3-[(4-cyanophenyl)methylamino]-4-fluorobenzamide?
The InChIKey is XXEDTCHKRDDPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O/c16-13-6-5-12(15(18)20)7-14(13)19-9-11-3-1-10(8-17)2-4-11/h1-7,19H,9H2,(H2,18,20).
What are the key properties of 3-[(4-cyanophenyl)methylamino]-4-fluorobenzamide?
3-[(4-cyanophenyl)methylamino]-4-fluorobenzamide has a molecular weight of 269.28 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-cyanophenyl)methylamino]-4-fluorobenzamide is sourced from PubChem (CID 43701025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).