N-(diaminomethylidene)-3-(2-methylphenyl)benzamide

C15H15N3O — CID 18945147

IUPACN-(diaminomethylidene)-3-(2-methylphenyl)benzamide
SMILESCc1ccccc1-c1cccc(C(=O)N=C(N)N)c1
InChIInChI=1S/C15H15N3O/c1-10-5-2-3-8-13(10)11-6-4-7-12(9-11)14(19)18-15(16)17/h2-9H,1H3,(H4,16,17,18,19)
InChIKeyJFEXWYVZVRQUPL-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.08
Rot. Bonds2

About N-(diaminomethylidene)-3-(2-methylphenyl)benzamide

N-(diaminomethylidene)-3-(2-methylphenyl)benzamide (PubChem CID 18945147) has the molecular formula C15H15N3O and a molecular weight of 253.30 g/mol. Its IUPAC name is N-(diaminomethylidene)-3-(2-methylphenyl)benzamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-3-(2-methylphenyl)benzamide
PubChem CID18945147
Molecular FormulaC15H15N3O
Molecular Weight253.30 g/mol
Exact Mass253.12
IUPAC NameN-(diaminomethylidene)-3-(2-methylphenyl)benzamide
SMILESCc1ccccc1-c1cccc(C(=O)N=C(N)N)c1
InChIInChI=1S/C15H15N3O/c1-10-5-2-3-8-13(10)11-6-4-7-12(9-11)14(19)18-15(16)17/h2-9H,1H3,(H4,16,17,18,19)
InChIKeyJFEXWYVZVRQUPL-UHFFFAOYSA-N
XLogP2.08
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-3-(2-methylphenyl)benzamide?
The IUPAC name of N-(diaminomethylidene)-3-(2-methylphenyl)benzamide (CID 18945147) is N-(diaminomethylidene)-3-(2-methylphenyl)benzamide.
What is the SMILES notation for N-(diaminomethylidene)-3-(2-methylphenyl)benzamide?
The canonical SMILES for N-(diaminomethylidene)-3-(2-methylphenyl)benzamide is Cc1ccccc1-c1cccc(C(=O)N=C(N)N)c1.
What is the InChIKey of N-(diaminomethylidene)-3-(2-methylphenyl)benzamide?
The InChIKey is JFEXWYVZVRQUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-10-5-2-3-8-13(10)11-6-4-7-12(9-11)14(19)18-15(16)17/h2-9H,1H3,(H4,16,17,18,19).
What are the key properties of N-(diaminomethylidene)-3-(2-methylphenyl)benzamide?
N-(diaminomethylidene)-3-(2-methylphenyl)benzamide has a molecular weight of 253.30 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-3-(2-methylphenyl)benzamide is sourced from PubChem (CID 18945147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).