4-chloro-N-[(E)-1-(2,5-dihydroxyphenyl)propylideneamino]benzamide

C16H15ClN2O3 — CID 135621561

IUPAC4-chloro-N-[(E)-1-(2,5-dihydroxyphenyl)propylideneamino]benzamide
SMILESCC/C(=N\NC(=O)c1ccc(Cl)cc1)c1cc(O)ccc1O
InChIInChI=1S/C16H15ClN2O3/c1-2-14(13-9-12(20)7-8-15(13)21)18-19-16(22)10-3-5-11(17)6-4-10/h3-9,20-21H,2H2,1H3,(H,19,22)/b18-14+
InChIKeyDRRUHMKRGPAUBI-NBVRZTHBSA-N
MW318.76 g/mol
LogP3.30
Rot. Bonds4

About 4-chloro-N-[(E)-1-(2,5-dihydroxyphenyl)propylideneamino]benzamide

4-chloro-N-[(E)-1-(2,5-dihydroxyphenyl)propylideneamino]benzamide (PubChem CID 135621561) has the molecular formula C16H15ClN2O3 and a molecular weight of 318.76 g/mol. Its IUPAC name is 4-chloro-N-[(E)-1-(2,5-dihydroxyphenyl)propylideneamino]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(E)-1-(2,5-dihydroxyphenyl)propylideneamino]benzamide
PubChem CID135621561
Molecular FormulaC16H15ClN2O3
Molecular Weight318.76 g/mol
Exact Mass318.08
IUPAC Name4-chloro-N-[(E)-1-(2,5-dihydroxyphenyl)propylideneamino]benzamide
SMILESCC/C(=N\NC(=O)c1ccc(Cl)cc1)c1cc(O)ccc1O
InChIInChI=1S/C16H15ClN2O3/c1-2-14(13-9-12(20)7-8-15(13)21)18-19-16(22)10-3-5-11(17)6-4-10/h3-9,20-21H,2H2,1H3,(H,19,22)/b18-14+
InChIKeyDRRUHMKRGPAUBI-NBVRZTHBSA-N
XLogP3.30
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', '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-[(Z)-1-(2,5-dihydroxyphenyl)propylideneamino]-3,5-dimethoxybenzamide
CID 135621568
N-[1-(4-chlorophenyl)propylideneamino]-2-hydroxybenzamide
CID 4608756
4-ethyl-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]benzamide
CID 135673781
4-chloro-N-[(Z)-1-[5-chloro-2-(methylamino)phenyl]propylideneamino]benzamide
CID 91609196
4-tert-butyl-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]benzamide
CID 135614080
N-[1-(3,5-dichloro-2-hydroxyphenyl)propylideneamino]-4-fluorobenzamide
CID 3388426
N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)propylideneamino]-4-fluorobenzamide
CID 135691033
N-[(E)-1-(2-hydroxyphenyl)propylideneamino]-4-methylbenzamide
CID 135716964
4-tert-butyl-N-[1-(2,4-dichlorophenyl)propylideneamino]benzamide
CID 3681131
4-ethoxy-N-[(E)-1-(2-hydroxy-5-methylphenyl)propylideneamino]benzamide
CID 135577280
N-[1-(4-chlorophenyl)propylideneamino]-3,4-dimethylbenzamide
CID 3679714
2,4-dichloro-N-[1-(4-chlorophenyl)propylideneamino]benzamide
CID 4063120

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(E)-1-(2,5-dihydroxyphenyl)propylideneamino]benzamide?
The IUPAC name of 4-chloro-N-[(E)-1-(2,5-dihydroxyphenyl)propylideneamino]benzamide (CID 135621561) is 4-chloro-N-[(E)-1-(2,5-dihydroxyphenyl)propylideneamino]benzamide.
What is the SMILES notation for 4-chloro-N-[(E)-1-(2,5-dihydroxyphenyl)propylideneamino]benzamide?
The canonical SMILES for 4-chloro-N-[(E)-1-(2,5-dihydroxyphenyl)propylideneamino]benzamide is CC/C(=N\NC(=O)c1ccc(Cl)cc1)c1cc(O)ccc1O.
What is the InChIKey of 4-chloro-N-[(E)-1-(2,5-dihydroxyphenyl)propylideneamino]benzamide?
The InChIKey is DRRUHMKRGPAUBI-NBVRZTHBSA-N. The full InChI is InChI=1S/C16H15ClN2O3/c1-2-14(13-9-12(20)7-8-15(13)21)18-19-16(22)10-3-5-11(17)6-4-10/h3-9,20-21H,2H2,1H3,(H,19,22)/b18-14+.
What are the key properties of 4-chloro-N-[(E)-1-(2,5-dihydroxyphenyl)propylideneamino]benzamide?
4-chloro-N-[(E)-1-(2,5-dihydroxyphenyl)propylideneamino]benzamide has a molecular weight of 318.76 g/mol, XLogP of 3.30, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(E)-1-(2,5-dihydroxyphenyl)propylideneamino]benzamide is sourced from PubChem (CID 135621561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).