2,4-dichloro-N-[(Z)-1-[5-chloro-2-(methylamino)phenyl]propylideneamino]-N-methylbenzamide

C18H18Cl3N3O — CID 90837915

IUPAC2,4-dichloro-N-[(Z)-1-[5-chloro-2-(methylamino)phenyl]propylideneamino]-N-methylbenzamide
SMILESCC/C(=N/N(C)C(=O)c1ccc(Cl)cc1Cl)c1cc(Cl)ccc1NC
InChIInChI=1S/C18H18Cl3N3O/c1-4-16(14-9-11(19)6-8-17(14)22-2)23-24(3)18(25)13-7-5-12(20)10-15(13)21/h5-10,22H,4H2,1-3H3/b23-16-
InChIKeyOCKCOOIRCRQNRB-KQWNVCNZSA-N
MW398.72 g/mol
LogP5.57
Rot. Bonds5

About 2,4-dichloro-N-[(Z)-1-[5-chloro-2-(methylamino)phenyl]propylideneamino]-N-methylbenzamide

2,4-dichloro-N-[(Z)-1-[5-chloro-2-(methylamino)phenyl]propylideneamino]-N-methylbenzamide (PubChem CID 90837915) has the molecular formula C18H18Cl3N3O and a molecular weight of 398.72 g/mol. Its IUPAC name is 2,4-dichloro-N-[(Z)-1-[5-chloro-2-(methylamino)phenyl]propylideneamino]-N-methylbenzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(Z)-1-[5-chloro-2-(methylamino)phenyl]propylideneamino]-N-methylbenzamide
PubChem CID90837915
Molecular FormulaC18H18Cl3N3O
Molecular Weight398.72 g/mol
Exact Mass397.05
IUPAC Name2,4-dichloro-N-[(Z)-1-[5-chloro-2-(methylamino)phenyl]propylideneamino]-N-methylbenzamide
SMILESCC/C(=N/N(C)C(=O)c1ccc(Cl)cc1Cl)c1cc(Cl)ccc1NC
InChIInChI=1S/C18H18Cl3N3O/c1-4-16(14-9-11(19)6-8-17(14)22-2)23-24(3)18(25)13-7-5-12(20)10-15(13)21/h5-10,22H,4H2,1-3H3/b23-16-
InChIKeyOCKCOOIRCRQNRB-KQWNVCNZSA-N
XLogP5.57
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.72
LogP ≤ 55.57
H-Bond Donors ≤ 51
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

4-chloro-2-[(E)-N-(2,4-dichloroanilino)-C-ethylcarbonimidoyl]-N-methylaniline
CID 58987717
4-chloro-N-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-methylbenzamide
CID 58987672
4-chloro-N-[(Z)-1-[5-chloro-2-(methylamino)phenyl]propylideneamino]benzamide
CID 91609196
2-[(E)-N-anilino-C-ethylcarbonimidoyl]-4-chloro-N-methylaniline
CID 58987816
5-chloro-N-[(4-chlorophenyl)methyl]-N-methyl-2-(methylamino)benzamide
CID 62177619
5-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(methylamino)benzamide
CID 62187110
5-chloro-N-methyl-2-(methylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 62171405
N-(2-aminoethyl)-2,4-dichloro-N-methylbenzamide
CID 62686423
methyl N-[(Z)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-ethylcarbamate
CID 90781958
5-chloro-N-methyl-2-(methylamino)-N-phenylbenzamide
CID 55042648
4-chloro-2-[(Z)-N-(4-chloro-N-ethylanilino)-C-methylcarbonimidoyl]-N-methylaniline
CID 91291692
5-chloro-2-(methylamino)-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 62175200

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(Z)-1-[5-chloro-2-(methylamino)phenyl]propylideneamino]-N-methylbenzamide?
The IUPAC name of 2,4-dichloro-N-[(Z)-1-[5-chloro-2-(methylamino)phenyl]propylideneamino]-N-methylbenzamide (CID 90837915) is 2,4-dichloro-N-[(Z)-1-[5-chloro-2-(methylamino)phenyl]propylideneamino]-N-methylbenzamide.
What is the SMILES notation for 2,4-dichloro-N-[(Z)-1-[5-chloro-2-(methylamino)phenyl]propylideneamino]-N-methylbenzamide?
The canonical SMILES for 2,4-dichloro-N-[(Z)-1-[5-chloro-2-(methylamino)phenyl]propylideneamino]-N-methylbenzamide is CC/C(=N/N(C)C(=O)c1ccc(Cl)cc1Cl)c1cc(Cl)ccc1NC.
What is the InChIKey of 2,4-dichloro-N-[(Z)-1-[5-chloro-2-(methylamino)phenyl]propylideneamino]-N-methylbenzamide?
The InChIKey is OCKCOOIRCRQNRB-KQWNVCNZSA-N. The full InChI is InChI=1S/C18H18Cl3N3O/c1-4-16(14-9-11(19)6-8-17(14)22-2)23-24(3)18(25)13-7-5-12(20)10-15(13)21/h5-10,22H,4H2,1-3H3/b23-16-.
What are the key properties of 2,4-dichloro-N-[(Z)-1-[5-chloro-2-(methylamino)phenyl]propylideneamino]-N-methylbenzamide?
2,4-dichloro-N-[(Z)-1-[5-chloro-2-(methylamino)phenyl]propylideneamino]-N-methylbenzamide has a molecular weight of 398.72 g/mol, XLogP of 5.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(Z)-1-[5-chloro-2-(methylamino)phenyl]propylideneamino]-N-methylbenzamide is sourced from PubChem (CID 90837915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).