4-chloro-2-[(Z)-N-(4-chloro-N-ethylanilino)-C-methylcarbonimidoyl]-N-methylaniline

C17H19Cl2N3 — CID 91291692

IUPAC4-chloro-2-[(Z)-N-(4-chloro-N-ethylanilino)-C-methylcarbonimidoyl]-N-methylaniline
SMILESCCN(/N=C(/C)c1cc(Cl)ccc1NC)c1ccc(Cl)cc1
InChIInChI=1S/C17H19Cl2N3/c1-4-22(15-8-5-13(18)6-9-15)21-12(2)16-11-14(19)7-10-17(16)20-3/h5-11,20H,4H2,1-3H3/b21-12-
InChIKeyNMVXISIHBFYCDA-MTJSOVHGSA-N
MW336.27 g/mol
LogP5.29
Rot. Bonds5

About 4-chloro-2-[(Z)-N-(4-chloro-N-ethylanilino)-C-methylcarbonimidoyl]-N-methylaniline

4-chloro-2-[(Z)-N-(4-chloro-N-ethylanilino)-C-methylcarbonimidoyl]-N-methylaniline (PubChem CID 91291692) has the molecular formula C17H19Cl2N3 and a molecular weight of 336.27 g/mol. Its IUPAC name is 4-chloro-2-[(Z)-N-(4-chloro-N-ethylanilino)-C-methylcarbonimidoyl]-N-methylaniline.

Molecular Properties

Compound Name4-chloro-2-[(Z)-N-(4-chloro-N-ethylanilino)-C-methylcarbonimidoyl]-N-methylaniline
PubChem CID91291692
Molecular FormulaC17H19Cl2N3
Molecular Weight336.27 g/mol
Exact Mass335.10
IUPAC Name4-chloro-2-[(Z)-N-(4-chloro-N-ethylanilino)-C-methylcarbonimidoyl]-N-methylaniline
SMILESCCN(/N=C(/C)c1cc(Cl)ccc1NC)c1ccc(Cl)cc1
InChIInChI=1S/C17H19Cl2N3/c1-4-22(15-8-5-13(18)6-9-15)21-12(2)16-11-14(19)7-10-17(16)20-3/h5-11,20H,4H2,1-3H3/b21-12-
InChIKeyNMVXISIHBFYCDA-MTJSOVHGSA-N
XLogP5.29
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.27
LogP ≤ 55.29
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-(N-ethyl-4-methylanilino)-C-methylcarbonimidoyl]-N-methylaniline
CID 58987825
3,4-dichloro-N-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-ethylaniline
CID 58987820
4-chloro-2-[(Z)-N-(4-chloro-N-methylanilino)-C-methylcarbonimidoyl]-N-methylaniline
CID 90885434
4-chloro-2-[(E)-N-(N,4-dimethylanilino)-C-methylcarbonimidoyl]-N-methylaniline
CID 58987753
4-chloro-2-[(E)-N-(3,5-dichloro-N-methylanilino)-C-methylcarbonimidoyl]-N-methylaniline
CID 58987806
4-chloro-N-methyl-2-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]aniline
CID 58987656
methyl N-[(Z)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-ethylcarbamate
CID 90781958
4-chloro-N-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-methylbenzamide
CID 58987672
4-chloro-2-[(E)-N-(2-fluoro-N-propylanilino)-C-methylcarbonimidoyl]-N-methylaniline
CID 58987688
ethyl N-[(Z)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-ethylcarbamate
CID 90693030
2,3-dichloro-N-[(Z)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-methylaniline
CID 90742179
N-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-methylquinolin-2-amine
CID 58987758

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(Z)-N-(4-chloro-N-ethylanilino)-C-methylcarbonimidoyl]-N-methylaniline?
The IUPAC name of 4-chloro-2-[(Z)-N-(4-chloro-N-ethylanilino)-C-methylcarbonimidoyl]-N-methylaniline (CID 91291692) is 4-chloro-2-[(Z)-N-(4-chloro-N-ethylanilino)-C-methylcarbonimidoyl]-N-methylaniline.
What is the SMILES notation for 4-chloro-2-[(Z)-N-(4-chloro-N-ethylanilino)-C-methylcarbonimidoyl]-N-methylaniline?
The canonical SMILES for 4-chloro-2-[(Z)-N-(4-chloro-N-ethylanilino)-C-methylcarbonimidoyl]-N-methylaniline is CCN(/N=C(/C)c1cc(Cl)ccc1NC)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-2-[(Z)-N-(4-chloro-N-ethylanilino)-C-methylcarbonimidoyl]-N-methylaniline?
The InChIKey is NMVXISIHBFYCDA-MTJSOVHGSA-N. The full InChI is InChI=1S/C17H19Cl2N3/c1-4-22(15-8-5-13(18)6-9-15)21-12(2)16-11-14(19)7-10-17(16)20-3/h5-11,20H,4H2,1-3H3/b21-12-.
What are the key properties of 4-chloro-2-[(Z)-N-(4-chloro-N-ethylanilino)-C-methylcarbonimidoyl]-N-methylaniline?
4-chloro-2-[(Z)-N-(4-chloro-N-ethylanilino)-C-methylcarbonimidoyl]-N-methylaniline has a molecular weight of 336.27 g/mol, XLogP of 5.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(Z)-N-(4-chloro-N-ethylanilino)-C-methylcarbonimidoyl]-N-methylaniline is sourced from PubChem (CID 91291692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).