2-amino-N-[(3-cyanophenyl)methyl]-6-methylbenzamide

C16H15N3O — CID 61102170

IUPAC2-amino-N-[(3-cyanophenyl)methyl]-6-methylbenzamide
SMILESCc1cccc(N)c1C(=O)NCc1cccc(C#N)c1
InChIInChI=1S/C16H15N3O/c1-11-4-2-7-14(18)15(11)16(20)19-10-13-6-3-5-12(8-13)9-17/h2-8H,10,18H2,1H3,(H,19,20)
InChIKeyDEZPRRJVYARMTO-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.38
Rot. Bonds3

About 2-amino-N-[(3-cyanophenyl)methyl]-6-methylbenzamide

2-amino-N-[(3-cyanophenyl)methyl]-6-methylbenzamide (PubChem CID 61102170) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-amino-N-[(3-cyanophenyl)methyl]-6-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-[(3-cyanophenyl)methyl]-6-methylbenzamide
PubChem CID61102170
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name2-amino-N-[(3-cyanophenyl)methyl]-6-methylbenzamide
SMILESCc1cccc(N)c1C(=O)NCc1cccc(C#N)c1
InChIInChI=1S/C16H15N3O/c1-11-4-2-7-14(18)15(11)16(20)19-10-13-6-3-5-12(8-13)9-17/h2-8H,10,18H2,1H3,(H,19,20)
InChIKeyDEZPRRJVYARMTO-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

3-amino-N-[(3-cyanophenyl)methyl]-2-methylbenzamide
CID 61101981
5-amino-N-[(3-cyanophenyl)methyl]-2,4-dimethylbenzamide
CID 102705125
N-[(3-cyanophenyl)methyl]-2,6-difluoro-3-methylbenzamide
CID 82797784
2-bromo-N-[(3-cyanophenyl)methyl]-3-methylbenzamide
CID 103853121
2-amino-6-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 16782894
3,5-diamino-N-[(3-cyanophenyl)methyl]benzamide
CID 61103321
3-amino-N-[(3-cyanophenyl)methyl]-5-fluoro-4-methylbenzamide
CID 61102742
2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-6-methylbenzamide
CID 107229451
N-[(3-cyanophenyl)methyl]-5-methylfuran-3-carboxamide
CID 114820614
N-[(3-cyanophenyl)methyl]-4-hydroxy-3-methylbenzamide
CID 103951763
2-amino-N-[(4-bromophenyl)methyl]-6-methylbenzamide
CID 16781523
3-amino-N-[(3-cyanophenyl)methyl]pyridine-4-carboxamide
CID 105069773

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-cyanophenyl)methyl]-6-methylbenzamide?
The IUPAC name of 2-amino-N-[(3-cyanophenyl)methyl]-6-methylbenzamide (CID 61102170) is 2-amino-N-[(3-cyanophenyl)methyl]-6-methylbenzamide.
What is the SMILES notation for 2-amino-N-[(3-cyanophenyl)methyl]-6-methylbenzamide?
The canonical SMILES for 2-amino-N-[(3-cyanophenyl)methyl]-6-methylbenzamide is Cc1cccc(N)c1C(=O)NCc1cccc(C#N)c1.
What is the InChIKey of 2-amino-N-[(3-cyanophenyl)methyl]-6-methylbenzamide?
The InChIKey is DEZPRRJVYARMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-11-4-2-7-14(18)15(11)16(20)19-10-13-6-3-5-12(8-13)9-17/h2-8H,10,18H2,1H3,(H,19,20).
What are the key properties of 2-amino-N-[(3-cyanophenyl)methyl]-6-methylbenzamide?
2-amino-N-[(3-cyanophenyl)methyl]-6-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 2-amino-N-[(3-cyanophenyl)methyl]-6-methylbenzamide is sourced from PubChem (CID 61102170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).