4-chloro-2-[(E)-N-(N-ethyl-4-methylanilino)-C-methylcarbonimidoyl]-N-methylaniline

C18H22ClN3 — CID 58987825

IUPAC4-chloro-2-[(E)-N-(N-ethyl-4-methylanilino)-C-methylcarbonimidoyl]-N-methylaniline
SMILESCCN(/N=C(\C)c1cc(Cl)ccc1NC)c1ccc(C)cc1
InChIInChI=1S/C18H22ClN3/c1-5-22(16-9-6-13(2)7-10-16)21-14(3)17-12-15(19)8-11-18(17)20-4/h6-12,20H,5H2,1-4H3/b21-14+
InChIKeyXGSDYKQGNRUKEU-KGENOOAVSA-N
MW315.85 g/mol
LogP4.94
Rot. Bonds5

About 4-chloro-2-[(E)-N-(N-ethyl-4-methylanilino)-C-methylcarbonimidoyl]-N-methylaniline

4-chloro-2-[(E)-N-(N-ethyl-4-methylanilino)-C-methylcarbonimidoyl]-N-methylaniline (PubChem CID 58987825) has the molecular formula C18H22ClN3 and a molecular weight of 315.85 g/mol. Its IUPAC name is 4-chloro-2-[(E)-N-(N-ethyl-4-methylanilino)-C-methylcarbonimidoyl]-N-methylaniline.

Molecular Properties

Compound Name4-chloro-2-[(E)-N-(N-ethyl-4-methylanilino)-C-methylcarbonimidoyl]-N-methylaniline
PubChem CID58987825
Molecular FormulaC18H22ClN3
Molecular Weight315.85 g/mol
Exact Mass315.15
IUPAC Name4-chloro-2-[(E)-N-(N-ethyl-4-methylanilino)-C-methylcarbonimidoyl]-N-methylaniline
SMILESCCN(/N=C(\C)c1cc(Cl)ccc1NC)c1ccc(C)cc1
InChIInChI=1S/C18H22ClN3/c1-5-22(16-9-6-13(2)7-10-16)21-14(3)17-12-15(19)8-11-18(17)20-4/h6-12,20H,5H2,1-4H3/b21-14+
InChIKeyXGSDYKQGNRUKEU-KGENOOAVSA-N
XLogP4.94
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.85
LogP ≤ 54.94
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-[(Z)-N-(4-chloro-N-ethylanilino)-C-methylcarbonimidoyl]-N-methylaniline
CID 91291692
3,4-dichloro-N-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-ethylaniline
CID 58987820
4-chloro-2-[(E)-N-(N,4-dimethylanilino)-C-methylcarbonimidoyl]-N-methylaniline
CID 58987753
4-chloro-2-[(Z)-N-(4-chloro-N-methylanilino)-C-methylcarbonimidoyl]-N-methylaniline
CID 90885434
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
ethyl N-[(Z)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-ethylcarbamate
CID 90693030
4-chloro-2-[(E)-N-(2-fluoro-N-propylanilino)-C-methylcarbonimidoyl]-N-methylaniline
CID 58987688
4-chloro-N-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-methylbenzamide
CID 58987672
2,3-dichloro-N-[(Z)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-methylaniline
CID 90742179
5-chloro-N-methyl-2-(methylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 62171405

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(E)-N-(N-ethyl-4-methylanilino)-C-methylcarbonimidoyl]-N-methylaniline?
The IUPAC name of 4-chloro-2-[(E)-N-(N-ethyl-4-methylanilino)-C-methylcarbonimidoyl]-N-methylaniline (CID 58987825) is 4-chloro-2-[(E)-N-(N-ethyl-4-methylanilino)-C-methylcarbonimidoyl]-N-methylaniline.
What is the SMILES notation for 4-chloro-2-[(E)-N-(N-ethyl-4-methylanilino)-C-methylcarbonimidoyl]-N-methylaniline?
The canonical SMILES for 4-chloro-2-[(E)-N-(N-ethyl-4-methylanilino)-C-methylcarbonimidoyl]-N-methylaniline is CCN(/N=C(\C)c1cc(Cl)ccc1NC)c1ccc(C)cc1.
What is the InChIKey of 4-chloro-2-[(E)-N-(N-ethyl-4-methylanilino)-C-methylcarbonimidoyl]-N-methylaniline?
The InChIKey is XGSDYKQGNRUKEU-KGENOOAVSA-N. The full InChI is InChI=1S/C18H22ClN3/c1-5-22(16-9-6-13(2)7-10-16)21-14(3)17-12-15(19)8-11-18(17)20-4/h6-12,20H,5H2,1-4H3/b21-14+.
What are the key properties of 4-chloro-2-[(E)-N-(N-ethyl-4-methylanilino)-C-methylcarbonimidoyl]-N-methylaniline?
4-chloro-2-[(E)-N-(N-ethyl-4-methylanilino)-C-methylcarbonimidoyl]-N-methylaniline has a molecular weight of 315.85 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(E)-N-(N-ethyl-4-methylanilino)-C-methylcarbonimidoyl]-N-methylaniline is sourced from PubChem (CID 58987825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).