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

C16H17Cl2N3 — CID 90885434

IUPAC4-chloro-2-[(Z)-N-(4-chloro-N-methylanilino)-C-methylcarbonimidoyl]-N-methylaniline
SMILESCNc1ccc(Cl)cc1/C(C)=N\N(C)c1ccc(Cl)cc1
InChIInChI=1S/C16H17Cl2N3/c1-11(15-10-13(18)6-9-16(15)19-2)20-21(3)14-7-4-12(17)5-8-14/h4-10,19H,1-3H3/b20-11-
InChIKeyZVCWNLNPMPLEEN-JAIQZWGSSA-N
MW322.24 g/mol
LogP4.90
Rot. Bonds4

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

4-chloro-2-[(Z)-N-(4-chloro-N-methylanilino)-C-methylcarbonimidoyl]-N-methylaniline (PubChem CID 90885434) has the molecular formula C16H17Cl2N3 and a molecular weight of 322.24 g/mol. Its IUPAC name is 4-chloro-2-[(Z)-N-(4-chloro-N-methylanilino)-C-methylcarbonimidoyl]-N-methylaniline.

Molecular Properties

Compound Name4-chloro-2-[(Z)-N-(4-chloro-N-methylanilino)-C-methylcarbonimidoyl]-N-methylaniline
PubChem CID90885434
Molecular FormulaC16H17Cl2N3
Molecular Weight322.24 g/mol
Exact Mass321.08
IUPAC Name4-chloro-2-[(Z)-N-(4-chloro-N-methylanilino)-C-methylcarbonimidoyl]-N-methylaniline
SMILESCNc1ccc(Cl)cc1/C(C)=N\N(C)c1ccc(Cl)cc1
InChIInChI=1S/C16H17Cl2N3/c1-11(15-10-13(18)6-9-16(15)19-2)20-21(3)14-7-4-12(17)5-8-14/h4-10,19H,1-3H3/b20-11-
InChIKeyZVCWNLNPMPLEEN-JAIQZWGSSA-N
XLogP4.90
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.24
LogP ≤ 54.90
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,4-dimethylanilino)-C-methylcarbonimidoyl]-N-methylaniline
CID 58987753
4-chloro-N-methyl-2-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]aniline
CID 58987656
4-chloro-2-[(E)-N-(3,5-dichloro-N-methylanilino)-C-methylcarbonimidoyl]-N-methylaniline
CID 58987806
4-chloro-2-[(Z)-N-(4-chloro-N-ethylanilino)-C-methylcarbonimidoyl]-N-methylaniline
CID 91291692
2,3-dichloro-N-[(Z)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-methylaniline
CID 90742179
4-chloro-2-[(E)-N-(N-ethyl-4-methylanilino)-C-methylcarbonimidoyl]-N-methylaniline
CID 58987825
4-chloro-N-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-methylbenzamide
CID 58987672
3,4-dichloro-N-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-ethylaniline
CID 58987820
N-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-methylquinolin-2-amine
CID 58987758
N-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-methylquinoxalin-2-amine
CID 58987662
methyl N-[(Z)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-ethylcarbamate
CID 90781958
4-chloro-2-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]aniline
CID 89327073

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(Z)-N-(4-chloro-N-methylanilino)-C-methylcarbonimidoyl]-N-methylaniline?
The IUPAC name of 4-chloro-2-[(Z)-N-(4-chloro-N-methylanilino)-C-methylcarbonimidoyl]-N-methylaniline (CID 90885434) is 4-chloro-2-[(Z)-N-(4-chloro-N-methylanilino)-C-methylcarbonimidoyl]-N-methylaniline.
What is the SMILES notation for 4-chloro-2-[(Z)-N-(4-chloro-N-methylanilino)-C-methylcarbonimidoyl]-N-methylaniline?
The canonical SMILES for 4-chloro-2-[(Z)-N-(4-chloro-N-methylanilino)-C-methylcarbonimidoyl]-N-methylaniline is CNc1ccc(Cl)cc1/C(C)=N\N(C)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-2-[(Z)-N-(4-chloro-N-methylanilino)-C-methylcarbonimidoyl]-N-methylaniline?
The InChIKey is ZVCWNLNPMPLEEN-JAIQZWGSSA-N. The full InChI is InChI=1S/C16H17Cl2N3/c1-11(15-10-13(18)6-9-16(15)19-2)20-21(3)14-7-4-12(17)5-8-14/h4-10,19H,1-3H3/b20-11-.
What are the key properties of 4-chloro-2-[(Z)-N-(4-chloro-N-methylanilino)-C-methylcarbonimidoyl]-N-methylaniline?
4-chloro-2-[(Z)-N-(4-chloro-N-methylanilino)-C-methylcarbonimidoyl]-N-methylaniline has a molecular weight of 322.24 g/mol, XLogP of 4.90, 4 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-methylanilino)-C-methylcarbonimidoyl]-N-methylaniline is sourced from PubChem (CID 90885434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).