2,4-dichloro-N-[1-(4-chlorophenyl)propylideneamino]benzamide

C16H13Cl3N2O — CID 4063120

IUPAC2,4-dichloro-N-[1-(4-chlorophenyl)propylideneamino]benzamide
SMILESCCC(=NNC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C16H13Cl3N2O/c1-2-15(10-3-5-11(17)6-4-10)20-21-16(22)13-8-7-12(18)9-14(13)19/h3-9H,2H2,1H3,(H,21,22)
InChIKeyZIOZTSXPSPHNJB-UHFFFAOYSA-N
MW355.65 g/mol
LogP5.19
Rot. Bonds4

About 2,4-dichloro-N-[1-(4-chlorophenyl)propylideneamino]benzamide

2,4-dichloro-N-[1-(4-chlorophenyl)propylideneamino]benzamide (PubChem CID 4063120) has the molecular formula C16H13Cl3N2O and a molecular weight of 355.65 g/mol. Its IUPAC name is 2,4-dichloro-N-[1-(4-chlorophenyl)propylideneamino]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[1-(4-chlorophenyl)propylideneamino]benzamide
PubChem CID4063120
Molecular FormulaC16H13Cl3N2O
Molecular Weight355.65 g/mol
Exact Mass354.01
IUPAC Name2,4-dichloro-N-[1-(4-chlorophenyl)propylideneamino]benzamide
SMILESCCC(=NNC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C16H13Cl3N2O/c1-2-15(10-3-5-11(17)6-4-10)20-21-16(22)13-8-7-12(18)9-14(13)19/h3-9H,2H2,1H3,(H,21,22)
InChIKeyZIOZTSXPSPHNJB-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

N-[1-(4-chlorophenyl)propylideneamino]-2-hydroxybenzamide
CID 4608756
4-tert-butyl-N-[1-(2,4-dichlorophenyl)propylideneamino]benzamide
CID 3681131
2,4-dichloro-N-[1-(4-chlorophenyl)ethylideneamino]benzamide
CID 904479
2-chloro-N-[1-(3-chlorophenyl)propylideneamino]benzamide
CID 3567805
2,4-dichloro-N-[(E)-1-(4-ethoxyphenyl)butylideneamino]benzamide
CID 7230039
N-[1-(4-chlorophenyl)propylideneamino]-3,4-dimethylbenzamide
CID 3679714
2-chloro-N-[1-(4-methylphenyl)propylideneamino]benzamide
CID 4195749
N-[(E)-1-(2,4-dichlorophenyl)propylideneamino]-3-methylbenzamide
CID 19685167
N-[(Z)-1-(4-chlorophenyl)propylideneamino]acetamide
CID 6011612
N-[(Z)-1-(2,4-dichlorophenyl)propylideneamino]pyridine-3-carboxamide
CID 6073439
2-chloro-N-[1-(4-methoxyphenyl)propylideneamino]benzamide
CID 4096350
N'-[1-(2,4-dichlorophenyl)propylideneamino]oxamide
CID 4181307

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[1-(4-chlorophenyl)propylideneamino]benzamide?
The IUPAC name of 2,4-dichloro-N-[1-(4-chlorophenyl)propylideneamino]benzamide (CID 4063120) is 2,4-dichloro-N-[1-(4-chlorophenyl)propylideneamino]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[1-(4-chlorophenyl)propylideneamino]benzamide?
The canonical SMILES for 2,4-dichloro-N-[1-(4-chlorophenyl)propylideneamino]benzamide is CCC(=NNC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1.
What is the InChIKey of 2,4-dichloro-N-[1-(4-chlorophenyl)propylideneamino]benzamide?
The InChIKey is ZIOZTSXPSPHNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl3N2O/c1-2-15(10-3-5-11(17)6-4-10)20-21-16(22)13-8-7-12(18)9-14(13)19/h3-9H,2H2,1H3,(H,21,22).
What are the key properties of 2,4-dichloro-N-[1-(4-chlorophenyl)propylideneamino]benzamide?
2,4-dichloro-N-[1-(4-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 2,4-dichloro-N-[1-(4-chlorophenyl)propylideneamino]benzamide is sourced from PubChem (CID 4063120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).