4-acetamido-N-[(2,4-dihydroxyphenyl)methylideneamino]benzamide

C16H15N3O4 — CID 689755

IUPAC4-acetamido-N-[(2,4-dihydroxyphenyl)methylideneamino]benzamide
SMILESCC(=O)Nc1ccc(C(=O)NN=Cc2ccc(O)cc2O)cc1
InChIInChI=1S/C16H15N3O4/c1-10(20)18-13-5-2-11(3-6-13)16(23)19-17-9-12-4-7-14(21)8-15(12)22/h2-9,21-22H,1H3,(H,18,20)(H,19,23)
InChIKeyJOXQYKLGZCQXDC-UHFFFAOYSA-N
MW313.31 g/mol
LogP1.82
Rot. Bonds4

About 4-acetamido-N-[(2,4-dihydroxyphenyl)methylideneamino]benzamide

4-acetamido-N-[(2,4-dihydroxyphenyl)methylideneamino]benzamide (PubChem CID 689755) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is 4-acetamido-N-[(2,4-dihydroxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[(2,4-dihydroxyphenyl)methylideneamino]benzamide
PubChem CID689755
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Name4-acetamido-N-[(2,4-dihydroxyphenyl)methylideneamino]benzamide
SMILESCC(=O)Nc1ccc(C(=O)NN=Cc2ccc(O)cc2O)cc1
InChIInChI=1S/C16H15N3O4/c1-10(20)18-13-5-2-11(3-6-13)16(23)19-17-9-12-4-7-14(21)8-15(12)22/h2-9,21-22H,1H3,(H,18,20)(H,19,23)
InChIKeyJOXQYKLGZCQXDC-UHFFFAOYSA-N
XLogP1.82
TPSA111.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 51.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-[[(Z)-(2,4-dihydroxyphenyl)methylideneamino]carbamoyl]phenyl]-4-methylbenzamide
CID 136863468
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-methylbenzamide
CID 135628281
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 136778476
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-ethylbenzamide
CID 135673755
2-chloro-N-[4-[[(Z)-(2,4-dihydroxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide
CID 136890963
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-4-(1-methylcyclopropyl)benzamide
CID 137037301
2,4-dichloro-N-[4-[[(Z)-(2,4-dihydroxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide
CID 137173612
N,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]oxamide
CID 135576680
N'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)oxamide
CID 135684849
4-acetamido-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide
CID 136662978
1-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-phenylurea
CID 135490420
N-[(2,4-dihydroxyphenyl)methylideneamino]-2-methylbut-2-enamide
CID 4531910

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[(2,4-dihydroxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-acetamido-N-[(2,4-dihydroxyphenyl)methylideneamino]benzamide (CID 689755) is 4-acetamido-N-[(2,4-dihydroxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-acetamido-N-[(2,4-dihydroxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-acetamido-N-[(2,4-dihydroxyphenyl)methylideneamino]benzamide is CC(=O)Nc1ccc(C(=O)NN=Cc2ccc(O)cc2O)cc1.
What is the InChIKey of 4-acetamido-N-[(2,4-dihydroxyphenyl)methylideneamino]benzamide?
The InChIKey is JOXQYKLGZCQXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-10(20)18-13-5-2-11(3-6-13)16(23)19-17-9-12-4-7-14(21)8-15(12)22/h2-9,21-22H,1H3,(H,18,20)(H,19,23).
What are the key properties of 4-acetamido-N-[(2,4-dihydroxyphenyl)methylideneamino]benzamide?
4-acetamido-N-[(2,4-dihydroxyphenyl)methylideneamino]benzamide has a molecular weight of 313.31 g/mol, XLogP of 1.82, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[(2,4-dihydroxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 689755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).