3-[(2-cyanoanilino)methyl]benzamide

C15H13N3O — CID 28580909

IUPAC3-[(2-cyanoanilino)methyl]benzamide
SMILESN#Cc1ccccc1NCc1cccc(C(N)=O)c1
InChIInChI=1S/C15H13N3O/c16-9-13-5-1-2-7-14(13)18-10-11-4-3-6-12(8-11)15(17)19/h1-8,18H,10H2,(H2,17,19)
InChIKeyUYACHJFGNVMIQG-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.27
Rot. Bonds4

About 3-[(2-cyanoanilino)methyl]benzamide

3-[(2-cyanoanilino)methyl]benzamide (PubChem CID 28580909) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-[(2-cyanoanilino)methyl]benzamide.

Molecular Properties

Compound Name3-[(2-cyanoanilino)methyl]benzamide
PubChem CID28580909
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name3-[(2-cyanoanilino)methyl]benzamide
SMILESN#Cc1ccccc1NCc1cccc(C(N)=O)c1
InChIInChI=1S/C15H13N3O/c16-9-13-5-1-2-7-14(13)18-10-11-4-3-6-12(8-11)15(17)19/h1-8,18H,10H2,(H2,17,19)
InChIKeyUYACHJFGNVMIQG-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

2-[[3-(hydroxymethyl)phenyl]methylamino]benzonitrile
CID 55204093
3-[(2-bromo-4-cyanoanilino)methyl]benzamide
CID 63276987
3-[(3-cyanoanilino)methyl]benzamide
CID 28580996
3-amino-4-[(3-cyanophenyl)methylamino]benzamide
CID 62312022
3-[[(4-chloro-5-cyanopyrimidin-2-yl)amino]methyl]benzamide
CID 123957130
3-[[(4-cyanophenyl)methylamino]methyl]benzamide
CID 43664709
4-[(2-cyanoanilino)methyl]-2-fluorobenzoic acid
CID 106699568
3-[(2,4-dimethylanilino)methyl]benzamide
CID 28564440
3-[(2-amino-5-fluoroanilino)methyl]benzamide
CID 123298867
3-[(carbamoylamino)methyl]benzamide
CID 166184789
3-[(naphthalen-2-ylamino)methyl]benzamide
CID 43533069
3-[(4-chloro-2-iodoanilino)methyl]benzamide
CID 103764653

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyanoanilino)methyl]benzamide?
The IUPAC name of 3-[(2-cyanoanilino)methyl]benzamide (CID 28580909) is 3-[(2-cyanoanilino)methyl]benzamide.
What is the SMILES notation for 3-[(2-cyanoanilino)methyl]benzamide?
The canonical SMILES for 3-[(2-cyanoanilino)methyl]benzamide is N#Cc1ccccc1NCc1cccc(C(N)=O)c1.
What is the InChIKey of 3-[(2-cyanoanilino)methyl]benzamide?
The InChIKey is UYACHJFGNVMIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c16-9-13-5-1-2-7-14(13)18-10-11-4-3-6-12(8-11)15(17)19/h1-8,18H,10H2,(H2,17,19).
What are the key properties of 3-[(2-cyanoanilino)methyl]benzamide?
3-[(2-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-[(2-cyanoanilino)methyl]benzamide is sourced from PubChem (CID 28580909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).