3-methyl-N-[(Z)-naphthalen-2-ylmethylideneamino]benzamide

C19H16N2O — CID 5407114

IUPAC3-methyl-N-[(Z)-naphthalen-2-ylmethylideneamino]benzamide
SMILESCc1cccc(C(=O)N/N=C\c2ccc3ccccc3c2)c1
InChIInChI=1S/C19H16N2O/c1-14-5-4-8-18(11-14)19(22)21-20-13-15-9-10-16-6-2-3-7-17(16)12-15/h2-13H,1H3,(H,21,22)/b20-13-
InChIKeyBBKWZICITQMOMU-MOSHPQCFSA-N
MW288.35 g/mol
LogP3.91
Rot. Bonds3

About 3-methyl-N-[(Z)-naphthalen-2-ylmethylideneamino]benzamide

3-methyl-N-[(Z)-naphthalen-2-ylmethylideneamino]benzamide (PubChem CID 5407114) has the molecular formula C19H16N2O and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-methyl-N-[(Z)-naphthalen-2-ylmethylideneamino]benzamide.

Molecular Properties

Compound Name3-methyl-N-[(Z)-naphthalen-2-ylmethylideneamino]benzamide
PubChem CID5407114
Molecular FormulaC19H16N2O
Molecular Weight288.35 g/mol
Exact Mass288.13
IUPAC Name3-methyl-N-[(Z)-naphthalen-2-ylmethylideneamino]benzamide
SMILESCc1cccc(C(=O)N/N=C\c2ccc3ccccc3c2)c1
InChIInChI=1S/C19H16N2O/c1-14-5-4-8-18(11-14)19(22)21-20-13-15-9-10-16-6-2-3-7-17(16)12-15/h2-13H,1H3,(H,21,22)/b20-13-
InChIKeyBBKWZICITQMOMU-MOSHPQCFSA-N
XLogP3.91
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-methyl-N-[(Z)-naphthalen-2-ylmethylideneamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5394581
3-chloro-N-[(E)-naphthalen-2-ylmethylideneamino]benzamide
CID 5332427
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-3-methylbenzamide
CID 136852017
N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-methylbenzamide
CID 135400409
3-methyl-N-[(4-propan-2-ylphenyl)methylideneamino]benzamide
CID 916412
3-(dimethylsulfamoyl)-N-[(Z)-naphthalen-2-ylmethylideneamino]benzamide
CID 9359854
3-methyl-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]benzamide
CID 5417741
3,5-dihydroxy-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5407507
N-[(Z)-naphthalen-2-ylmethylideneamino]pyridine-3-carboxamide
CID 5399469
[4-[(benzoylhydrazinylidene)methyl]phenyl] 3-methylbenzoate
CID 4244003
3-fluoro-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5412010
3-iodo-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5499709

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(Z)-naphthalen-2-ylmethylideneamino]benzamide?
The IUPAC name of 3-methyl-N-[(Z)-naphthalen-2-ylmethylideneamino]benzamide (CID 5407114) is 3-methyl-N-[(Z)-naphthalen-2-ylmethylideneamino]benzamide.
What is the SMILES notation for 3-methyl-N-[(Z)-naphthalen-2-ylmethylideneamino]benzamide?
The canonical SMILES for 3-methyl-N-[(Z)-naphthalen-2-ylmethylideneamino]benzamide is Cc1cccc(C(=O)N/N=C\c2ccc3ccccc3c2)c1.
What is the InChIKey of 3-methyl-N-[(Z)-naphthalen-2-ylmethylideneamino]benzamide?
The InChIKey is BBKWZICITQMOMU-MOSHPQCFSA-N. The full InChI is InChI=1S/C19H16N2O/c1-14-5-4-8-18(11-14)19(22)21-20-13-15-9-10-16-6-2-3-7-17(16)12-15/h2-13H,1H3,(H,21,22)/b20-13-.
What are the key properties of 3-methyl-N-[(Z)-naphthalen-2-ylmethylideneamino]benzamide?
3-methyl-N-[(Z)-naphthalen-2-ylmethylideneamino]benzamide has a molecular weight of 288.35 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(Z)-naphthalen-2-ylmethylideneamino]benzamide is sourced from PubChem (CID 5407114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).