4-(naphthalen-2-ylmethylideneamino)benzamide

C18H14N2O — CID 791141

IUPAC4-(naphthalen-2-ylmethylideneamino)benzamide
SMILESNC(=O)c1ccc(/N=C/c2ccc3ccccc3c2)cc1
InChIInChI=1S/C18H14N2O/c19-18(21)15-7-9-17(10-8-15)20-12-13-5-6-14-3-1-2-4-16(14)11-13/h1-12H,(H2,19,21)/b20-12+
InChIKeySYRVRSNUFSPMOQ-UDWIEESQSA-N
MW274.32 g/mol
LogP3.69
Rot. Bonds3

About 4-(naphthalen-2-ylmethylideneamino)benzamide

4-(naphthalen-2-ylmethylideneamino)benzamide (PubChem CID 791141) has the molecular formula C18H14N2O and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-(naphthalen-2-ylmethylideneamino)benzamide.

Molecular Properties

Compound Name4-(naphthalen-2-ylmethylideneamino)benzamide
PubChem CID791141
Molecular FormulaC18H14N2O
Molecular Weight274.32 g/mol
Exact Mass274.11
IUPAC Name4-(naphthalen-2-ylmethylideneamino)benzamide
SMILESNC(=O)c1ccc(/N=C/c2ccc3ccccc3c2)cc1
InChIInChI=1S/C18H14N2O/c19-18(21)15-7-9-17(10-8-15)20-12-13-5-6-14-3-1-2-4-16(14)11-13/h1-12H,(H2,19,21)/b20-12+
InChIKeySYRVRSNUFSPMOQ-UDWIEESQSA-N
XLogP3.69
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(naphthalen-2-ylmethylideneamino)benzamide?
The IUPAC name of 4-(naphthalen-2-ylmethylideneamino)benzamide (CID 791141) is 4-(naphthalen-2-ylmethylideneamino)benzamide.
What is the SMILES notation for 4-(naphthalen-2-ylmethylideneamino)benzamide?
The canonical SMILES for 4-(naphthalen-2-ylmethylideneamino)benzamide is NC(=O)c1ccc(/N=C/c2ccc3ccccc3c2)cc1.
What is the InChIKey of 4-(naphthalen-2-ylmethylideneamino)benzamide?
The InChIKey is SYRVRSNUFSPMOQ-UDWIEESQSA-N. The full InChI is InChI=1S/C18H14N2O/c19-18(21)15-7-9-17(10-8-15)20-12-13-5-6-14-3-1-2-4-16(14)11-13/h1-12H,(H2,19,21)/b20-12+.
What are the key properties of 4-(naphthalen-2-ylmethylideneamino)benzamide?
4-(naphthalen-2-ylmethylideneamino)benzamide has a molecular weight of 274.32 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(naphthalen-2-ylmethylideneamino)benzamide is sourced from PubChem (CID 791141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).