3-amino-N-[(3-cyanophenyl)methyl]-2-methylbenzamide

C16H15N3O — CID 61101981

IUPAC3-amino-N-[(3-cyanophenyl)methyl]-2-methylbenzamide
SMILESCc1c(N)cccc1C(=O)NCc1cccc(C#N)c1
InChIInChI=1S/C16H15N3O/c1-11-14(6-3-7-15(11)18)16(20)19-10-13-5-2-4-12(8-13)9-17/h2-8H,10,18H2,1H3,(H,19,20)
InChIKeyDYGIIRQJBXECMU-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.38
Rot. Bonds3

About 3-amino-N-[(3-cyanophenyl)methyl]-2-methylbenzamide

3-amino-N-[(3-cyanophenyl)methyl]-2-methylbenzamide (PubChem CID 61101981) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 3-amino-N-[(3-cyanophenyl)methyl]-2-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-[(3-cyanophenyl)methyl]-2-methylbenzamide
PubChem CID61101981
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name3-amino-N-[(3-cyanophenyl)methyl]-2-methylbenzamide
SMILESCc1c(N)cccc1C(=O)NCc1cccc(C#N)c1
InChIInChI=1S/C16H15N3O/c1-11-14(6-3-7-15(11)18)16(20)19-10-13-5-2-4-12(8-13)9-17/h2-8H,10,18H2,1H3,(H,19,20)
InChIKeyDYGIIRQJBXECMU-UHFFFAOYSA-N
XLogP2.38
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-[(3-cyanophenyl)methyl]-2,4-dimethylbenzamide
CID 102705125
2-amino-N-[(3-cyanophenyl)methyl]-6-methylbenzamide
CID 61102170
2-bromo-N-[(3-cyanophenyl)methyl]-3-methylbenzamide
CID 103853121
3-amino-N-[(3-cyanophenyl)methyl]-5-fluoro-4-methylbenzamide
CID 61102742
3-amino-N-[(3-cyanophenyl)methyl]pyridine-4-carboxamide
CID 105069773
3-amino-N-[(3-cyanophenyl)methyl]-2,5-difluorobenzamide
CID 107120616
3-amino-N-[(3-ethoxyphenyl)methyl]-2-methylbenzamide
CID 78984271
N-[(3-cyanophenyl)methyl]-2,6-dimethylpyridine-3-carboxamide
CID 47283577
N-[(3-cyanophenyl)methyl]-2-(ethylamino)benzamide
CID 62314064
3,5-diamino-N-[(3-cyanophenyl)methyl]benzamide
CID 61103321
N-[(3-cyanophenyl)methyl]-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104623868
N-[(3-cyanophenyl)methyl]-4-hydrazinyl-6-methylpyridine-3-carboxamide
CID 81244932

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3-cyanophenyl)methyl]-2-methylbenzamide?
The IUPAC name of 3-amino-N-[(3-cyanophenyl)methyl]-2-methylbenzamide (CID 61101981) is 3-amino-N-[(3-cyanophenyl)methyl]-2-methylbenzamide.
What is the SMILES notation for 3-amino-N-[(3-cyanophenyl)methyl]-2-methylbenzamide?
The canonical SMILES for 3-amino-N-[(3-cyanophenyl)methyl]-2-methylbenzamide is Cc1c(N)cccc1C(=O)NCc1cccc(C#N)c1.
What is the InChIKey of 3-amino-N-[(3-cyanophenyl)methyl]-2-methylbenzamide?
The InChIKey is DYGIIRQJBXECMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-11-14(6-3-7-15(11)18)16(20)19-10-13-5-2-4-12(8-13)9-17/h2-8H,10,18H2,1H3,(H,19,20).
What are the key properties of 3-amino-N-[(3-cyanophenyl)methyl]-2-methylbenzamide?
3-amino-N-[(3-cyanophenyl)methyl]-2-methylbenzamide has a molecular weight of 265.32 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3-cyanophenyl)methyl]-2-methylbenzamide is sourced from PubChem (CID 61101981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).