N-[(2-hydroxyphenyl)methylideneamino]-2-(methylamino)benzamide

C15H15N3O2 — CID 3596715

IUPACN-[(2-hydroxyphenyl)methylideneamino]-2-(methylamino)benzamide
SMILESCNc1ccccc1C(=O)NN=Cc1ccccc1O
InChIInChI=1S/C15H15N3O2/c1-16-13-8-4-3-7-12(13)15(20)18-17-10-11-6-2-5-9-14(11)19/h2-10,16,19H,1H3,(H,18,20)
InChIKeyRTFXWABSHNRVPC-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.20
Rot. Bonds4

About N-[(2-hydroxyphenyl)methylideneamino]-2-(methylamino)benzamide

N-[(2-hydroxyphenyl)methylideneamino]-2-(methylamino)benzamide (PubChem CID 3596715) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-[(2-hydroxyphenyl)methylideneamino]-2-(methylamino)benzamide.

Molecular Properties

Compound NameN-[(2-hydroxyphenyl)methylideneamino]-2-(methylamino)benzamide
PubChem CID3596715
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC NameN-[(2-hydroxyphenyl)methylideneamino]-2-(methylamino)benzamide
SMILESCNc1ccccc1C(=O)NN=Cc1ccccc1O
InChIInChI=1S/C15H15N3O2/c1-16-13-8-4-3-7-12(13)15(20)18-17-10-11-6-2-5-9-14(11)19/h2-10,16,19H,1H3,(H,18,20)
InChIKeyRTFXWABSHNRVPC-UHFFFAOYSA-N
XLogP2.20
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxyphenyl)methylideneamino]-2-(methylamino)benzamide?
The IUPAC name of N-[(2-hydroxyphenyl)methylideneamino]-2-(methylamino)benzamide (CID 3596715) is N-[(2-hydroxyphenyl)methylideneamino]-2-(methylamino)benzamide.
What is the SMILES notation for N-[(2-hydroxyphenyl)methylideneamino]-2-(methylamino)benzamide?
The canonical SMILES for N-[(2-hydroxyphenyl)methylideneamino]-2-(methylamino)benzamide is CNc1ccccc1C(=O)NN=Cc1ccccc1O.
What is the InChIKey of N-[(2-hydroxyphenyl)methylideneamino]-2-(methylamino)benzamide?
The InChIKey is RTFXWABSHNRVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-16-13-8-4-3-7-12(13)15(20)18-17-10-11-6-2-5-9-14(11)19/h2-10,16,19H,1H3,(H,18,20).
What are the key properties of N-[(2-hydroxyphenyl)methylideneamino]-2-(methylamino)benzamide?
N-[(2-hydroxyphenyl)methylideneamino]-2-(methylamino)benzamide has a molecular weight of 269.30 g/mol, XLogP of 2.20, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxyphenyl)methylideneamino]-2-(methylamino)benzamide is sourced from PubChem (CID 3596715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).