N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-2-phenylacetamide

C15H14N2O3 — CID 135852640

IUPACN-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N/N=C/c1cccc(O)c1O
InChIInChI=1S/C15H14N2O3/c18-13-8-4-7-12(15(13)20)10-16-17-14(19)9-11-5-2-1-3-6-11/h1-8,10,18,20H,9H2,(H,17,19)/b16-10+
InChIKeyBTEJWZYNIBLNCZ-MHWRWJLKSA-N
MW270.29 g/mol
LogP1.79
Rot. Bonds4

About N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-2-phenylacetamide

N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-2-phenylacetamide (PubChem CID 135852640) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-2-phenylacetamide
PubChem CID135852640
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC NameN-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N/N=C/c1cccc(O)c1O
InChIInChI=1S/C15H14N2O3/c18-13-8-4-7-12(15(13)20)10-16-17-14(19)9-11-5-2-1-3-6-11/h1-8,10,18,20H,9H2,(H,17,19)/b16-10+
InChIKeyBTEJWZYNIBLNCZ-MHWRWJLKSA-N
XLogP1.79
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', '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-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-2-phenylacetamide?
The IUPAC name of N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-2-phenylacetamide (CID 135852640) is N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-2-phenylacetamide.
What is the SMILES notation for N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-2-phenylacetamide?
The canonical SMILES for N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-2-phenylacetamide is O=C(Cc1ccccc1)N/N=C/c1cccc(O)c1O.
What is the InChIKey of N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-2-phenylacetamide?
The InChIKey is BTEJWZYNIBLNCZ-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H14N2O3/c18-13-8-4-7-12(15(13)20)10-16-17-14(19)9-11-5-2-1-3-6-11/h1-8,10,18,20H,9H2,(H,17,19)/b16-10+.
What are the key properties of N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-2-phenylacetamide?
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-2-phenylacetamide has a molecular weight of 270.29 g/mol, XLogP of 1.79, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-2-phenylacetamide is sourced from PubChem (CID 135852640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).