2-(4-chloroanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide

C15H14ClN3O2 — CID 135419709

IUPAC2-(4-chloroanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
SMILESO=C(CNc1ccc(Cl)cc1)N/N=C/c1ccccc1O
InChIInChI=1S/C15H14ClN3O2/c16-12-5-7-13(8-6-12)17-10-15(21)19-18-9-11-3-1-2-4-14(11)20/h1-9,17,20H,10H2,(H,19,21)/b18-9+
InChIKeySIOQCTITBYLKHL-GIJQJNRQSA-N
MW303.75 g/mol
LogP2.61
Rot. Bonds5

About 2-(4-chloroanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide

2-(4-chloroanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide (PubChem CID 135419709) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is 2-(4-chloroanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-chloroanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
PubChem CID135419709
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC Name2-(4-chloroanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
SMILESO=C(CNc1ccc(Cl)cc1)N/N=C/c1ccccc1O
InChIInChI=1S/C15H14ClN3O2/c16-12-5-7-13(8-6-12)17-10-15(21)19-18-9-11-3-1-2-4-14(11)20/h1-9,17,20H,10H2,(H,19,21)/b18-9+
InChIKeySIOQCTITBYLKHL-GIJQJNRQSA-N
XLogP2.61
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 52.61
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 2-(4-chloroanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-chloroanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide (CID 135419709) is 2-(4-chloroanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-chloroanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-chloroanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide is O=C(CNc1ccc(Cl)cc1)N/N=C/c1ccccc1O.
What is the InChIKey of 2-(4-chloroanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
The InChIKey is SIOQCTITBYLKHL-GIJQJNRQSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c16-12-5-7-13(8-6-12)17-10-15(21)19-18-9-11-3-1-2-4-14(11)20/h1-9,17,20H,10H2,(H,19,21)/b18-9+.
What are the key properties of 2-(4-chloroanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
2-(4-chloroanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide has a molecular weight of 303.75 g/mol, XLogP of 2.61, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 135419709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).