1-N-[(3-fluoro-4-phenylphenyl)methylideneamino]-4-N-hydroxybenzene-1,4-dicarboxamide

C21H16FN3O3 — CID 75036859

IUPAC1-N-[(3-fluoro-4-phenylphenyl)methylideneamino]-4-N-hydroxybenzene-1,4-dicarboxamide
SMILESO=C(NO)c1ccc(C(=O)NN=Cc2ccc(-c3ccccc3)c(F)c2)cc1
InChIInChI=1S/C21H16FN3O3/c22-19-12-14(6-11-18(19)15-4-2-1-3-5-15)13-23-24-20(26)16-7-9-17(10-8-16)21(27)25-28/h1-13,28H,(H,24,26)(H,25,27)
InChIKeyNCANIVIILXJTHV-UHFFFAOYSA-N
MW377.38 g/mol
LogP3.38
Rot. Bonds5

About 1-N-[(3-fluoro-4-phenylphenyl)methylideneamino]-4-N-hydroxybenzene-1,4-dicarboxamide

1-N-[(3-fluoro-4-phenylphenyl)methylideneamino]-4-N-hydroxybenzene-1,4-dicarboxamide (PubChem CID 75036859) has the molecular formula C21H16FN3O3 and a molecular weight of 377.38 g/mol. Its IUPAC name is 1-N-[(3-fluoro-4-phenylphenyl)methylideneamino]-4-N-hydroxybenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[(3-fluoro-4-phenylphenyl)methylideneamino]-4-N-hydroxybenzene-1,4-dicarboxamide
PubChem CID75036859
Molecular FormulaC21H16FN3O3
Molecular Weight377.38 g/mol
Exact Mass377.12
IUPAC Name1-N-[(3-fluoro-4-phenylphenyl)methylideneamino]-4-N-hydroxybenzene-1,4-dicarboxamide
SMILESO=C(NO)c1ccc(C(=O)NN=Cc2ccc(-c3ccccc3)c(F)c2)cc1
InChIInChI=1S/C21H16FN3O3/c22-19-12-14(6-11-18(19)15-4-2-1-3-5-15)13-23-24-20(26)16-7-9-17(10-8-16)21(27)25-28/h1-13,28H,(H,24,26)(H,25,27)
InChIKeyNCANIVIILXJTHV-UHFFFAOYSA-N
XLogP3.38
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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-[(E)-(3-fluoro-4-phenylphenyl)methylideneamino]pyridine-2-carboxamide
CID 44507539
N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]benzamide
CID 6298230
4-N-hydroxy-1-N-[(E)-[4-[4-[(E)-[[4-(hydroxycarbamoyl)benzoyl]hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]benzene-1,4-dicarboxamide
CID 135613044
N-[(Z)-(3,4-difluorophenyl)methylideneamino]-4-fluorobenzamide
CID 9016709
4-(2-fluorophenyl)-N-[(3-methoxyphenyl)methylideneamino]benzamide
CID 75306200
N-[(4-fluorophenyl)methylideneamino]benzamide
CID 724426
4-N-hydroxy-1-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 135883029
4-[3-(hydroxyamino)-3-oxoprop-1-enyl]-N-[(4-phenylphenyl)methylideneamino]benzamide
CID 123393502
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-4-phenylbenzamide
CID 136661498
4-fluoro-N-[(Z)-(4-fluorophenyl)methylideneamino]benzamide
CID 5394348
N-[(E)-[3-[(E)-(benzoylhydrazinylidene)methyl]-5-[(Z)-(benzoylhydrazinylidene)methyl]phenyl]methylideneamino]benzamide
CID 45048078
4-fluoro-N-[(E)-(4-fluorophenyl)methylideneamino]benzamide
CID 5333155

Frequently Asked Questions

What is the IUPAC name of 1-N-[(3-fluoro-4-phenylphenyl)methylideneamino]-4-N-hydroxybenzene-1,4-dicarboxamide?
The IUPAC name of 1-N-[(3-fluoro-4-phenylphenyl)methylideneamino]-4-N-hydroxybenzene-1,4-dicarboxamide (CID 75036859) is 1-N-[(3-fluoro-4-phenylphenyl)methylideneamino]-4-N-hydroxybenzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[(3-fluoro-4-phenylphenyl)methylideneamino]-4-N-hydroxybenzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-[(3-fluoro-4-phenylphenyl)methylideneamino]-4-N-hydroxybenzene-1,4-dicarboxamide is O=C(NO)c1ccc(C(=O)NN=Cc2ccc(-c3ccccc3)c(F)c2)cc1.
What is the InChIKey of 1-N-[(3-fluoro-4-phenylphenyl)methylideneamino]-4-N-hydroxybenzene-1,4-dicarboxamide?
The InChIKey is NCANIVIILXJTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O3/c22-19-12-14(6-11-18(19)15-4-2-1-3-5-15)13-23-24-20(26)16-7-9-17(10-8-16)21(27)25-28/h1-13,28H,(H,24,26)(H,25,27).
What are the key properties of 1-N-[(3-fluoro-4-phenylphenyl)methylideneamino]-4-N-hydroxybenzene-1,4-dicarboxamide?
1-N-[(3-fluoro-4-phenylphenyl)methylideneamino]-4-N-hydroxybenzene-1,4-dicarboxamide has a molecular weight of 377.38 g/mol, XLogP of 3.38, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(3-fluoro-4-phenylphenyl)methylideneamino]-4-N-hydroxybenzene-1,4-dicarboxamide is sourced from PubChem (CID 75036859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).