3,4-dichloro-N-[1-(3-chlorophenyl)propylideneamino]benzamide

C16H13Cl3N2O — CID 4256209

IUPAC3,4-dichloro-N-[1-(3-chlorophenyl)propylideneamino]benzamide
SMILESCCC(=NNC(=O)c1ccc(Cl)c(Cl)c1)c1cccc(Cl)c1
InChIInChI=1S/C16H13Cl3N2O/c1-2-15(10-4-3-5-12(17)8-10)20-21-16(22)11-6-7-13(18)14(19)9-11/h3-9H,2H2,1H3,(H,21,22)
InChIKeyFFLMMXCYJGPSAX-UHFFFAOYSA-N
MW355.65 g/mol
LogP5.19
Rot. Bonds4

About 3,4-dichloro-N-[1-(3-chlorophenyl)propylideneamino]benzamide

3,4-dichloro-N-[1-(3-chlorophenyl)propylideneamino]benzamide (PubChem CID 4256209) has the molecular formula C16H13Cl3N2O and a molecular weight of 355.65 g/mol. Its IUPAC name is 3,4-dichloro-N-[1-(3-chlorophenyl)propylideneamino]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[1-(3-chlorophenyl)propylideneamino]benzamide
PubChem CID4256209
Molecular FormulaC16H13Cl3N2O
Molecular Weight355.65 g/mol
Exact Mass354.01
IUPAC Name3,4-dichloro-N-[1-(3-chlorophenyl)propylideneamino]benzamide
SMILESCCC(=NNC(=O)c1ccc(Cl)c(Cl)c1)c1cccc(Cl)c1
InChIInChI=1S/C16H13Cl3N2O/c1-2-15(10-4-3-5-12(17)8-10)20-21-16(22)11-6-7-13(18)14(19)9-11/h3-9H,2H2,1H3,(H,21,22)
InChIKeyFFLMMXCYJGPSAX-UHFFFAOYSA-N
XLogP5.19
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.65
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

3-chloro-N-[(E)-1-(4-methylphenyl)propylideneamino]benzamide
CID 19685134
N-[1-(3-chlorophenyl)propylideneamino]-4-methylbenzamide
CID 3271296
2-chloro-N-[1-(3-chlorophenyl)propylideneamino]benzamide
CID 3567805
N-[1-(3-chlorophenyl)propylideneamino]-3,4-dimethoxybenzamide
CID 4168885
N-[1-(3,4-dichlorophenyl)propylideneamino]pyridine-3-carboxamide
CID 4836955
N-[(Z)-1-(3-chlorophenyl)propylideneamino]pyridine-3-carboxamide
CID 6241485
N-[1-(3-chlorophenyl)propylideneamino]-3,4,5-trihydroxybenzamide
CID 4284315
3,4-dichloro-N-[[1-(3,4-dichlorophenyl)-2-nitrosoethylidene]amino]benzamide
CID 91446441
N-[(E)-1-(3-chlorophenyl)propylideneamino]-2-phenylacetamide
CID 6258037
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 3,4-dichloro-N-[1-(3-chlorophenyl)propylideneamino]benzamide?
The IUPAC name of 3,4-dichloro-N-[1-(3-chlorophenyl)propylideneamino]benzamide (CID 4256209) is 3,4-dichloro-N-[1-(3-chlorophenyl)propylideneamino]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[1-(3-chlorophenyl)propylideneamino]benzamide?
The canonical SMILES for 3,4-dichloro-N-[1-(3-chlorophenyl)propylideneamino]benzamide is CCC(=NNC(=O)c1ccc(Cl)c(Cl)c1)c1cccc(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[1-(3-chlorophenyl)propylideneamino]benzamide?
The InChIKey is FFLMMXCYJGPSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl3N2O/c1-2-15(10-4-3-5-12(17)8-10)20-21-16(22)11-6-7-13(18)14(19)9-11/h3-9H,2H2,1H3,(H,21,22).
What are the key properties of 3,4-dichloro-N-[1-(3-chlorophenyl)propylideneamino]benzamide?
3,4-dichloro-N-[1-(3-chlorophenyl)propylideneamino]benzamide has a molecular weight of 355.65 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[1-(3-chlorophenyl)propylideneamino]benzamide is sourced from PubChem (CID 4256209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).