4-[(2-cyano-3-fluoroanilino)methyl]benzamide

C15H12FN3O — CID 43399540

IUPAC4-[(2-cyano-3-fluoroanilino)methyl]benzamide
SMILESN#Cc1c(F)cccc1NCc1ccc(C(N)=O)cc1
InChIInChI=1S/C15H12FN3O/c16-13-2-1-3-14(12(13)8-17)19-9-10-4-6-11(7-5-10)15(18)20/h1-7,19H,9H2,(H2,18,20)
InChIKeyJXNJTHHGNPKHQY-UHFFFAOYSA-N
MW269.28 g/mol
LogP2.41
Rot. Bonds4

About 4-[(2-cyano-3-fluoroanilino)methyl]benzamide

4-[(2-cyano-3-fluoroanilino)methyl]benzamide (PubChem CID 43399540) has the molecular formula C15H12FN3O and a molecular weight of 269.28 g/mol. Its IUPAC name is 4-[(2-cyano-3-fluoroanilino)methyl]benzamide.

Molecular Properties

Compound Name4-[(2-cyano-3-fluoroanilino)methyl]benzamide
PubChem CID43399540
Molecular FormulaC15H12FN3O
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC Name4-[(2-cyano-3-fluoroanilino)methyl]benzamide
SMILESN#Cc1c(F)cccc1NCc1ccc(C(N)=O)cc1
InChIInChI=1S/C15H12FN3O/c16-13-2-1-3-14(12(13)8-17)19-9-10-4-6-11(7-5-10)15(18)20/h1-7,19H,9H2,(H2,18,20)
InChIKeyJXNJTHHGNPKHQY-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-[4-[2-(2-cyano-3-fluoroanilino)ethylcarbamoyl]phenoxy]benzamide
CID 56549005
4-[(2,4,5-trifluoroanilino)methyl]benzamide
CID 62815712
3-[(4-cyanophenyl)methylamino]-4-fluorobenzamide
CID 43701025
2-[(4-bromo-3-fluorophenyl)methylamino]-6-fluorobenzonitrile
CID 78982287
2-fluoro-6-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylamino]benzonitrile
CID 9024491
2-fluoro-6-[(4-propoxyphenyl)methylamino]benzonitrile
CID 43580160
4-[(naphthalen-1-ylamino)methyl]benzamide
CID 25344267
1-[4-[(2-cyano-3-fluoroanilino)methyl]phenyl]-N-propan-2-ylmethanesulfonamide
CID 31539880
2-fluoro-6-[(2-fluorophenyl)methylamino]benzonitrile
CID 43399512
N-benzyl-3-(2-cyano-3-fluoroanilino)propanamide
CID 133279513
4-[[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]methyl]benzamide
CID 133396427
3-amino-N-(2-cyano-3-fluorophenyl)propanamide
CID 43580751

Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyano-3-fluoroanilino)methyl]benzamide?
The IUPAC name of 4-[(2-cyano-3-fluoroanilino)methyl]benzamide (CID 43399540) is 4-[(2-cyano-3-fluoroanilino)methyl]benzamide.
What is the SMILES notation for 4-[(2-cyano-3-fluoroanilino)methyl]benzamide?
The canonical SMILES for 4-[(2-cyano-3-fluoroanilino)methyl]benzamide is N#Cc1c(F)cccc1NCc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[(2-cyano-3-fluoroanilino)methyl]benzamide?
The InChIKey is JXNJTHHGNPKHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O/c16-13-2-1-3-14(12(13)8-17)19-9-10-4-6-11(7-5-10)15(18)20/h1-7,19H,9H2,(H2,18,20).
What are the key properties of 4-[(2-cyano-3-fluoroanilino)methyl]benzamide?
4-[(2-cyano-3-fluoroanilino)methyl]benzamide 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 4-[(2-cyano-3-fluoroanilino)methyl]benzamide is sourced from PubChem (CID 43399540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).