5-chloro-N-[1-(4-fluorophenyl)ethylideneamino]-2-hydroxybenzamide

C15H12ClFN2O2 — CID 3386192

IUPAC5-chloro-N-[1-(4-fluorophenyl)ethylideneamino]-2-hydroxybenzamide
SMILESCC(=NNC(=O)c1cc(Cl)ccc1O)c1ccc(F)cc1
InChIInChI=1S/C15H12ClFN2O2/c1-9(10-2-5-12(17)6-3-10)18-19-15(21)13-8-11(16)4-7-14(13)20/h2-8,20H,1H3,(H,19,21)
InChIKeyAGCHWEWTNPWRHY-UHFFFAOYSA-N
MW306.72 g/mol
LogP3.34
Rot. Bonds3

About 5-chloro-N-[1-(4-fluorophenyl)ethylideneamino]-2-hydroxybenzamide

5-chloro-N-[1-(4-fluorophenyl)ethylideneamino]-2-hydroxybenzamide (PubChem CID 3386192) has the molecular formula C15H12ClFN2O2 and a molecular weight of 306.72 g/mol. Its IUPAC name is 5-chloro-N-[1-(4-fluorophenyl)ethylideneamino]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[1-(4-fluorophenyl)ethylideneamino]-2-hydroxybenzamide
PubChem CID3386192
Molecular FormulaC15H12ClFN2O2
Molecular Weight306.72 g/mol
Exact Mass306.06
IUPAC Name5-chloro-N-[1-(4-fluorophenyl)ethylideneamino]-2-hydroxybenzamide
SMILESCC(=NNC(=O)c1cc(Cl)ccc1O)c1ccc(F)cc1
InChIInChI=1S/C15H12ClFN2O2/c1-9(10-2-5-12(17)6-3-10)18-19-15(21)13-8-11(16)4-7-14(13)20/h2-8,20H,1H3,(H,19,21)
InChIKeyAGCHWEWTNPWRHY-UHFFFAOYSA-N
XLogP3.34
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.72
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

5-chloro-N-[1-(4-fluorophenyl)ethylideneamino]-2-methoxybenzamide
CID 4550766
N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3,4,5-trihydroxybenzamide
CID 6089848
5-chloro-N-[1-(4-ethoxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 5154909
5-bromo-N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-hydroxybenzamide
CID 6183167
N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]benzamide
CID 135578375
2-[5-[(Z)-N-[(5-chloro-2-hydroxybenzoyl)amino]-C-methylcarbonimidoyl]-2-methoxyphenyl]acetic acid
CID 9297810
1-N,4-N-bis[(E)-1-(4-chlorophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 5338733
N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-4-fluorobenzamide
CID 135676383
2,4-dichloro-N-[1-(4-chlorophenyl)ethylideneamino]benzamide
CID 904479
2-[(4-chlorobenzoyl)amino]-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]benzamide
CID 6088613
N-[(E)-1-(4-chlorophenyl)ethylideneamino]-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 6057669
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 6381576

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(4-fluorophenyl)ethylideneamino]-2-hydroxybenzamide?
The IUPAC name of 5-chloro-N-[1-(4-fluorophenyl)ethylideneamino]-2-hydroxybenzamide (CID 3386192) is 5-chloro-N-[1-(4-fluorophenyl)ethylideneamino]-2-hydroxybenzamide.
What is the SMILES notation for 5-chloro-N-[1-(4-fluorophenyl)ethylideneamino]-2-hydroxybenzamide?
The canonical SMILES for 5-chloro-N-[1-(4-fluorophenyl)ethylideneamino]-2-hydroxybenzamide is CC(=NNC(=O)c1cc(Cl)ccc1O)c1ccc(F)cc1.
What is the InChIKey of 5-chloro-N-[1-(4-fluorophenyl)ethylideneamino]-2-hydroxybenzamide?
The InChIKey is AGCHWEWTNPWRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2O2/c1-9(10-2-5-12(17)6-3-10)18-19-15(21)13-8-11(16)4-7-14(13)20/h2-8,20H,1H3,(H,19,21).
What are the key properties of 5-chloro-N-[1-(4-fluorophenyl)ethylideneamino]-2-hydroxybenzamide?
5-chloro-N-[1-(4-fluorophenyl)ethylideneamino]-2-hydroxybenzamide has a molecular weight of 306.72 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(4-fluorophenyl)ethylideneamino]-2-hydroxybenzamide is sourced from PubChem (CID 3386192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).