3-[(3-cyanoanilino)methyl]benzamide

C15H13N3O — CID 28580996

IUPAC3-[(3-cyanoanilino)methyl]benzamide
SMILESN#Cc1cccc(NCc2cccc(C(N)=O)c2)c1
InChIInChI=1S/C15H13N3O/c16-9-11-3-2-6-14(8-11)18-10-12-4-1-5-13(7-12)15(17)19/h1-8,18H,10H2,(H2,17,19)
InChIKeyFZKWURATJKLWJY-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.27
Rot. Bonds4

About 3-[(3-cyanoanilino)methyl]benzamide

3-[(3-cyanoanilino)methyl]benzamide (PubChem CID 28580996) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-[(3-cyanoanilino)methyl]benzamide.

Molecular Properties

Compound Name3-[(3-cyanoanilino)methyl]benzamide
PubChem CID28580996
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name3-[(3-cyanoanilino)methyl]benzamide
SMILESN#Cc1cccc(NCc2cccc(C(N)=O)c2)c1
InChIInChI=1S/C15H13N3O/c16-9-11-3-2-6-14(8-11)18-10-12-4-1-5-13(7-12)15(17)19/h1-8,18H,10H2,(H2,17,19)
InChIKeyFZKWURATJKLWJY-UHFFFAOYSA-N
XLogP2.27
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-bromo-4-cyanoanilino)methyl]benzamide
CID 63276987
3-[[3-(hydroxymethyl)phenyl]methylamino]benzonitrile
CID 107232132
3-amino-4-[(3-cyanophenyl)methylamino]benzamide
CID 62312022
2-[4-[(3-cyanoanilino)methyl]phenyl]prop-2-enamide
CID 22478755
3-[[(4-cyanophenyl)methylamino]methyl]benzamide
CID 43664709
3-[(2-cyanoanilino)methyl]benzamide
CID 28580909
3-[(naphthalen-2-ylamino)methyl]benzamide
CID 43533069
3-[(3,5-difluoroanilino)methyl]benzamide
CID 28584265
3-[(3,5-dichloroanilino)methyl]benzamide
CID 28576195
3-[(3-cyanophenyl)methylamino]-4-methoxybenzamide
CID 43735340
3-[[3-(trifluoromethyl)anilino]methyl]benzamide
CID 28571852
2-[4-[(3-cyanophenyl)methylamino]phenoxy]acetamide
CID 43711069

Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyanoanilino)methyl]benzamide?
The IUPAC name of 3-[(3-cyanoanilino)methyl]benzamide (CID 28580996) is 3-[(3-cyanoanilino)methyl]benzamide.
What is the SMILES notation for 3-[(3-cyanoanilino)methyl]benzamide?
The canonical SMILES for 3-[(3-cyanoanilino)methyl]benzamide is N#Cc1cccc(NCc2cccc(C(N)=O)c2)c1.
What is the InChIKey of 3-[(3-cyanoanilino)methyl]benzamide?
The InChIKey is FZKWURATJKLWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c16-9-11-3-2-6-14(8-11)18-10-12-4-1-5-13(7-12)15(17)19/h1-8,18H,10H2,(H2,17,19).
What are the key properties of 3-[(3-cyanoanilino)methyl]benzamide?
3-[(3-cyanoanilino)methyl]benzamide has a molecular weight of 251.29 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyanoanilino)methyl]benzamide is sourced from PubChem (CID 28580996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).