N-[1-(4-chlorophenyl)propylideneamino]-2-hydroxybenzamide

C16H15ClN2O2 — CID 4608756

IUPACN-[1-(4-chlorophenyl)propylideneamino]-2-hydroxybenzamide
SMILESCCC(=NNC(=O)c1ccccc1O)c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN2O2/c1-2-14(11-7-9-12(17)10-8-11)18-19-16(21)13-5-3-4-6-15(13)20/h3-10,20H,2H2,1H3,(H,19,21)
InChIKeyXLFIPPUBDANTME-UHFFFAOYSA-N
MW302.76 g/mol
LogP3.59
Rot. Bonds4

About N-[1-(4-chlorophenyl)propylideneamino]-2-hydroxybenzamide

N-[1-(4-chlorophenyl)propylideneamino]-2-hydroxybenzamide (PubChem CID 4608756) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)propylideneamino]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)propylideneamino]-2-hydroxybenzamide
PubChem CID4608756
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC NameN-[1-(4-chlorophenyl)propylideneamino]-2-hydroxybenzamide
SMILESCCC(=NNC(=O)c1ccccc1O)c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN2O2/c1-2-14(11-7-9-12(17)10-8-11)18-19-16(21)13-5-3-4-6-15(13)20/h3-10,20H,2H2,1H3,(H,19,21)
InChIKeyXLFIPPUBDANTME-UHFFFAOYSA-N
XLogP3.59
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.59
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

2,4-dichloro-N-[1-(4-chlorophenyl)propylideneamino]benzamide
CID 4063120
2-chloro-N-[1-(4-methylphenyl)propylideneamino]benzamide
CID 4195749
2-fluoro-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]benzamide
CID 135609434
N-[(Z)-1-(4-chlorophenyl)propylideneamino]acetamide
CID 6011612
4-chloro-N-[(E)-1-(2,5-dihydroxyphenyl)propylideneamino]benzamide
CID 135621561
N-[1-(4-chlorophenyl)propylideneamino]-1H-indole-3-carboxamide
CID 5011470
N-[1-(4-chlorophenyl)propylideneamino]-3,4-dimethylbenzamide
CID 3679714
2-chloro-N-[1-(4-methoxyphenyl)propylideneamino]benzamide
CID 4096350
2-fluoro-N-(1-phenylpropylideneamino)benzamide
CID 4162373
2-methyl-N-[(Z)-1-phenylpropylideneamino]benzamide
CID 5391962
N-[(E)-1-(2-hydroxyphenyl)propylideneamino]-4-methylbenzamide
CID 135716964
N-[1-(4-hydroxyphenyl)propylideneamino]naphthalene-1-carboxamide
CID 903928

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)propylideneamino]-2-hydroxybenzamide?
The IUPAC name of N-[1-(4-chlorophenyl)propylideneamino]-2-hydroxybenzamide (CID 4608756) is N-[1-(4-chlorophenyl)propylideneamino]-2-hydroxybenzamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)propylideneamino]-2-hydroxybenzamide?
The canonical SMILES for N-[1-(4-chlorophenyl)propylideneamino]-2-hydroxybenzamide is CCC(=NNC(=O)c1ccccc1O)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)propylideneamino]-2-hydroxybenzamide?
The InChIKey is XLFIPPUBDANTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-2-14(11-7-9-12(17)10-8-11)18-19-16(21)13-5-3-4-6-15(13)20/h3-10,20H,2H2,1H3,(H,19,21).
What are the key properties of N-[1-(4-chlorophenyl)propylideneamino]-2-hydroxybenzamide?
N-[1-(4-chlorophenyl)propylideneamino]-2-hydroxybenzamide has a molecular weight of 302.76 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)propylideneamino]-2-hydroxybenzamide is sourced from PubChem (CID 4608756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).