4-amino-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide

C14H13N3O2 — CID 135408682

IUPAC4-amino-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide
SMILESNc1ccc(C(=O)N/N=C/c2ccccc2O)cc1
InChIInChI=1S/C14H13N3O2/c15-12-7-5-10(6-8-12)14(19)17-16-9-11-3-1-2-4-13(11)18/h1-9,18H,15H2,(H,17,19)/b16-9+
InChIKeyNKJDJXWRRISSHT-CXUHLZMHSA-N
MW255.28 g/mol
LogP1.74
Rot. Bonds3

About 4-amino-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide

4-amino-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide (PubChem CID 135408682) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 4-amino-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-amino-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide
PubChem CID135408682
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name4-amino-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide
SMILESNc1ccc(C(=O)N/N=C/c2ccccc2O)cc1
InChIInChI=1S/C14H13N3O2/c15-12-7-5-10(6-8-12)14(19)17-16-9-11-3-1-2-4-13(11)18/h1-9,18H,15H2,(H,17,19)/b16-9+
InChIKeyNKJDJXWRRISSHT-CXUHLZMHSA-N
XLogP1.74
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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 4-amino-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-amino-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide (CID 135408682) is 4-amino-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-amino-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-amino-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide is Nc1ccc(C(=O)N/N=C/c2ccccc2O)cc1.
What is the InChIKey of 4-amino-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide?
The InChIKey is NKJDJXWRRISSHT-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H13N3O2/c15-12-7-5-10(6-8-12)14(19)17-16-9-11-3-1-2-4-13(11)18/h1-9,18H,15H2,(H,17,19)/b16-9+.
What are the key properties of 4-amino-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide?
4-amino-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide has a molecular weight of 255.28 g/mol, XLogP of 1.74, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 135408682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).