N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-4-hydroxybenzamide

C17H17N3O3 — CID 6217170

IUPACN-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-4-hydroxybenzamide
SMILESCC(=O)Nc1cccc(/C(C)=N\NC(=O)c2ccc(O)cc2)c1
InChIInChI=1S/C17H17N3O3/c1-11(14-4-3-5-15(10-14)18-12(2)21)19-20-17(23)13-6-8-16(22)9-7-13/h3-10,22H,1-2H3,(H,18,21)(H,20,23)/b19-11-
InChIKeyAVTWJROQUOJFGC-ODLFYWEKSA-N
MW311.34 g/mol
LogP2.50
Rot. Bonds4

About N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-4-hydroxybenzamide

N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-4-hydroxybenzamide (PubChem CID 6217170) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-4-hydroxybenzamide
PubChem CID6217170
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC NameN-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-4-hydroxybenzamide
SMILESCC(=O)Nc1cccc(/C(C)=N\NC(=O)c2ccc(O)cc2)c1
InChIInChI=1S/C17H17N3O3/c1-11(14-4-3-5-15(10-14)18-12(2)21)19-20-17(23)13-6-8-16(22)9-7-13/h3-10,22H,1-2H3,(H,18,21)(H,20,23)/b19-11-
InChIKeyAVTWJROQUOJFGC-ODLFYWEKSA-N
XLogP2.50
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-N-[(E)-1-(3-acetamidophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 17349534
N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-4-propan-2-yloxybenzamide
CID 9215676
N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-hydroxybenzamide
CID 9077930
N-[3-[(Z)-N-(carbamoylamino)-C-methylcarbonimidoyl]phenyl]acetamide
CID 6020603
3,4-dichloro-N-[1-[3-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]benzamide
CID 3531180
N-[(E)-1-(3-acetamidophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide
CID 42998171
3-chloro-N-[(Z)-1-[3-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]benzamide
CID 6010239
N-[3-[1-[2-(4-hydroxybenzoyl)hydrazinyl]ethenyl]phenyl]acetamide
CID 2456651
N-[1-[3-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-4-phenylbenzamide
CID 3425855
N-[(E)-1-[3-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-4-phenylbenzamide
CID 7308855
3,5-dihydroxy-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]benzamide
CID 17126860
N-[3-(N-benzamido-C-methylcarbonimidoyl)phenyl]furan-2-carboxamide
CID 4548216

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-4-hydroxybenzamide?
The IUPAC name of N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-4-hydroxybenzamide (CID 6217170) is N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-4-hydroxybenzamide.
What is the SMILES notation for N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-4-hydroxybenzamide?
The canonical SMILES for N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-4-hydroxybenzamide is CC(=O)Nc1cccc(/C(C)=N\NC(=O)c2ccc(O)cc2)c1.
What is the InChIKey of N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-4-hydroxybenzamide?
The InChIKey is AVTWJROQUOJFGC-ODLFYWEKSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-11(14-4-3-5-15(10-14)18-12(2)21)19-20-17(23)13-6-8-16(22)9-7-13/h3-10,22H,1-2H3,(H,18,21)(H,20,23)/b19-11-.
What are the key properties of N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-4-hydroxybenzamide?
N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-4-hydroxybenzamide has a molecular weight of 311.34 g/mol, XLogP of 2.50, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-4-hydroxybenzamide is sourced from PubChem (CID 6217170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).