N-[1-(3-chlorophenyl)propylideneamino]-3,4,5-trihydroxybenzamide

C16H15ClN2O4 — CID 4284315

IUPACN-[1-(3-chlorophenyl)propylideneamino]-3,4,5-trihydroxybenzamide
SMILESCCC(=NNC(=O)c1cc(O)c(O)c(O)c1)c1cccc(Cl)c1
InChIInChI=1S/C16H15ClN2O4/c1-2-12(9-4-3-5-11(17)6-9)18-19-16(23)10-7-13(20)15(22)14(21)8-10/h3-8,20-22H,2H2,1H3,(H,19,23)
InChIKeyVSUOQCDNAJNWHX-UHFFFAOYSA-N
MW334.76 g/mol
LogP3.00
Rot. Bonds4

About N-[1-(3-chlorophenyl)propylideneamino]-3,4,5-trihydroxybenzamide

N-[1-(3-chlorophenyl)propylideneamino]-3,4,5-trihydroxybenzamide (PubChem CID 4284315) has the molecular formula C16H15ClN2O4 and a molecular weight of 334.76 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)propylideneamino]-3,4,5-trihydroxybenzamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)propylideneamino]-3,4,5-trihydroxybenzamide
PubChem CID4284315
Molecular FormulaC16H15ClN2O4
Molecular Weight334.76 g/mol
Exact Mass334.07
IUPAC NameN-[1-(3-chlorophenyl)propylideneamino]-3,4,5-trihydroxybenzamide
SMILESCCC(=NNC(=O)c1cc(O)c(O)c(O)c1)c1cccc(Cl)c1
InChIInChI=1S/C16H15ClN2O4/c1-2-12(9-4-3-5-11(17)6-9)18-19-16(23)10-7-13(20)15(22)14(21)8-10/h3-8,20-22H,2H2,1H3,(H,19,23)
InChIKeyVSUOQCDNAJNWHX-UHFFFAOYSA-N
XLogP3.00
TPSA102.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.76
LogP ≤ 53.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', '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-[1-(3-chlorophenyl)propylideneamino]-4-methylbenzamide
CID 3271296
3,4-dichloro-N-[1-(3-chlorophenyl)propylideneamino]benzamide
CID 4256209
3-chloro-N-[(E)-1-(4-methylphenyl)propylideneamino]benzamide
CID 19685134
2-chloro-N-[1-(3-chlorophenyl)propylideneamino]benzamide
CID 3567805
N-[(Z)-1-(3-chlorophenyl)propylideneamino]pyridine-3-carboxamide
CID 6241485
N-[1-(3-chlorophenyl)propylideneamino]-3,4-dimethoxybenzamide
CID 4168885
N-[(E)-1-(3-chlorophenyl)propylideneamino]-2-phenylacetamide
CID 6258037
N-[(E)-1-(3-chlorophenyl)propylideneamino]nonanamide
CID 6063002
N-[1-(4-chlorophenyl)propylideneamino]-2-hydroxybenzamide
CID 4608756
N-[1-(4-chlorophenyl)propylideneamino]-3,4-dimethylbenzamide
CID 3679714
N-[(E)-1-(2,4-dichlorophenyl)propylideneamino]-3-methylbenzamide
CID 19685167
2,4-dichloro-N-[1-(4-chlorophenyl)propylideneamino]benzamide
CID 4063120

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)propylideneamino]-3,4,5-trihydroxybenzamide?
The IUPAC name of N-[1-(3-chlorophenyl)propylideneamino]-3,4,5-trihydroxybenzamide (CID 4284315) is N-[1-(3-chlorophenyl)propylideneamino]-3,4,5-trihydroxybenzamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)propylideneamino]-3,4,5-trihydroxybenzamide?
The canonical SMILES for N-[1-(3-chlorophenyl)propylideneamino]-3,4,5-trihydroxybenzamide is CCC(=NNC(=O)c1cc(O)c(O)c(O)c1)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)propylideneamino]-3,4,5-trihydroxybenzamide?
The InChIKey is VSUOQCDNAJNWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O4/c1-2-12(9-4-3-5-11(17)6-9)18-19-16(23)10-7-13(20)15(22)14(21)8-10/h3-8,20-22H,2H2,1H3,(H,19,23).
What are the key properties of N-[1-(3-chlorophenyl)propylideneamino]-3,4,5-trihydroxybenzamide?
N-[1-(3-chlorophenyl)propylideneamino]-3,4,5-trihydroxybenzamide has a molecular weight of 334.76 g/mol, XLogP of 3.00, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)propylideneamino]-3,4,5-trihydroxybenzamide is sourced from PubChem (CID 4284315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).