3-[[(4-cyanophenyl)methylamino]methyl]benzamide

C16H15N3O — CID 43664709

IUPAC3-[[(4-cyanophenyl)methylamino]methyl]benzamide
SMILESN#Cc1ccc(CNCc2cccc(C(N)=O)c2)cc1
InChIInChI=1S/C16H15N3O/c17-9-12-4-6-13(7-5-12)10-19-11-14-2-1-3-15(8-14)16(18)20/h1-8,19H,10-11H2,(H2,18,20)
InChIKeyDHZTXAQGEJCMLS-UHFFFAOYSA-N
MW265.32 g/mol
LogP1.95
Rot. Bonds5

About 3-[[(4-cyanophenyl)methylamino]methyl]benzamide

3-[[(4-cyanophenyl)methylamino]methyl]benzamide (PubChem CID 43664709) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 3-[[(4-cyanophenyl)methylamino]methyl]benzamide.

Molecular Properties

Compound Name3-[[(4-cyanophenyl)methylamino]methyl]benzamide
PubChem CID43664709
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name3-[[(4-cyanophenyl)methylamino]methyl]benzamide
SMILESN#Cc1ccc(CNCc2cccc(C(N)=O)c2)cc1
InChIInChI=1S/C16H15N3O/c17-9-12-4-6-13(7-5-12)10-19-11-14-2-1-3-15(8-14)16(18)20/h1-8,19H,10-11H2,(H2,18,20)
InChIKeyDHZTXAQGEJCMLS-UHFFFAOYSA-N
XLogP1.95
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-cyanoanilino)methyl]benzamide
CID 28580996
3-[(2-bromo-4-cyanoanilino)methyl]benzamide
CID 63276987
3-[[(4-cyanophenyl)methylamino]methyl]-N-[2-(dimethylamino)ethyl]benzamide
CID 119110720
3-[(2-cyanopropylamino)methyl]benzamide
CID 63277351
3-[(4-cyanophenyl)methoxy]benzamide
CID 18354600
3-[(2-cyanoanilino)methyl]benzamide
CID 28580909
3-[[(2-ethylphenyl)methylamino]methyl]benzamide
CID 62391737
methyl 4-[[(3-cyanophenyl)methylamino]methyl]benzoate
CID 60685712
4-[[(4-cyanophenyl)methylamino]methyl]benzonitrile;hydrochloride
CID 44629811
3-[(3-carbamoylphenyl)methylamino]propanoic acid
CID 43466251
3-[(carbamoylamino)methyl]benzamide
CID 166184789
3-[(4-cyanophenyl)methylamino]-4-fluorobenzamide
CID 43701025

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-cyanophenyl)methylamino]methyl]benzamide?
The IUPAC name of 3-[[(4-cyanophenyl)methylamino]methyl]benzamide (CID 43664709) is 3-[[(4-cyanophenyl)methylamino]methyl]benzamide.
What is the SMILES notation for 3-[[(4-cyanophenyl)methylamino]methyl]benzamide?
The canonical SMILES for 3-[[(4-cyanophenyl)methylamino]methyl]benzamide is N#Cc1ccc(CNCc2cccc(C(N)=O)c2)cc1.
What is the InChIKey of 3-[[(4-cyanophenyl)methylamino]methyl]benzamide?
The InChIKey is DHZTXAQGEJCMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c17-9-12-4-6-13(7-5-12)10-19-11-14-2-1-3-15(8-14)16(18)20/h1-8,19H,10-11H2,(H2,18,20).
What are the key properties of 3-[[(4-cyanophenyl)methylamino]methyl]benzamide?
3-[[(4-cyanophenyl)methylamino]methyl]benzamide has a molecular weight of 265.32 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-cyanophenyl)methylamino]methyl]benzamide is sourced from PubChem (CID 43664709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).