4-chloro-2-[(Z)-N-(3-chloroanilino)-C-methylcarbonimidoyl]-N-methylaniline

C15H15Cl2N3 — CID 90733537

IUPAC4-chloro-2-[(Z)-N-(3-chloroanilino)-C-methylcarbonimidoyl]-N-methylaniline
SMILESCNc1ccc(Cl)cc1/C(C)=N\Nc1cccc(Cl)c1
InChIInChI=1S/C15H15Cl2N3/c1-10(14-9-12(17)6-7-15(14)18-2)19-20-13-5-3-4-11(16)8-13/h3-9,18,20H,1-2H3/b19-10-
InChIKeyRYADYYBIQRVSBX-GRSHGNNSSA-N
MW308.21 g/mol
LogP4.87
Rot. Bonds4

About 4-chloro-2-[(Z)-N-(3-chloroanilino)-C-methylcarbonimidoyl]-N-methylaniline

4-chloro-2-[(Z)-N-(3-chloroanilino)-C-methylcarbonimidoyl]-N-methylaniline (PubChem CID 90733537) has the molecular formula C15H15Cl2N3 and a molecular weight of 308.21 g/mol. Its IUPAC name is 4-chloro-2-[(Z)-N-(3-chloroanilino)-C-methylcarbonimidoyl]-N-methylaniline.

Molecular Properties

Compound Name4-chloro-2-[(Z)-N-(3-chloroanilino)-C-methylcarbonimidoyl]-N-methylaniline
PubChem CID90733537
Molecular FormulaC15H15Cl2N3
Molecular Weight308.21 g/mol
Exact Mass307.06
IUPAC Name4-chloro-2-[(Z)-N-(3-chloroanilino)-C-methylcarbonimidoyl]-N-methylaniline
SMILESCNc1ccc(Cl)cc1/C(C)=N\Nc1cccc(Cl)c1
InChIInChI=1S/C15H15Cl2N3/c1-10(14-9-12(17)6-7-15(14)18-2)19-20-13-5-3-4-11(16)8-13/h3-9,18,20H,1-2H3/b19-10-
InChIKeyRYADYYBIQRVSBX-GRSHGNNSSA-N
XLogP4.87
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.21
LogP ≤ 54.87
H-Bond Donors ≤ 52
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

3,4-dichloro-N-[(Z)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]aniline
CID 91183805
4-chloro-2-[(Z)-N-(4-fluoroanilino)-C-methylcarbonimidoyl]-N-methylaniline
CID 91332262
3-chloro-N-[1-(2,4-dichlorophenyl)ethylideneamino]aniline
CID 3541372
2-[(E)-N-anilino-C-ethylcarbonimidoyl]-4-chloro-N-methylaniline
CID 58987816
3-[(2E)-2-[1-(2,5-dichlorophenyl)ethylidene]hydrazinyl]benzoic acid
CID 16555836
2,3-dichloro-N-[(Z)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-methylaniline
CID 90742179
3-[(E)-N-(3-chloroanilino)-C-methylcarbonimidoyl]chromen-2-one
CID 139225160
4-chloro-N-methyl-2-[(Z)-C-methyl-N-piperidin-1-ylcarbonimidoyl]aniline
CID 91415552
4-chloro-N-methyl-2-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]aniline
CID 58987656
4-chloro-2-[(Z)-N-(4-chloro-N-methylanilino)-C-methylcarbonimidoyl]-N-methylaniline
CID 90885434
2-chloro-5-[(2Z)-2-[1-(2,5-dichlorophenyl)ethylidene]hydrazinyl]benzoic acid
CID 6300123
4-chloro-2-[(E)-N-(3,5-dichloro-N-methylanilino)-C-methylcarbonimidoyl]-N-methylaniline
CID 58987806

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(Z)-N-(3-chloroanilino)-C-methylcarbonimidoyl]-N-methylaniline?
The IUPAC name of 4-chloro-2-[(Z)-N-(3-chloroanilino)-C-methylcarbonimidoyl]-N-methylaniline (CID 90733537) is 4-chloro-2-[(Z)-N-(3-chloroanilino)-C-methylcarbonimidoyl]-N-methylaniline.
What is the SMILES notation for 4-chloro-2-[(Z)-N-(3-chloroanilino)-C-methylcarbonimidoyl]-N-methylaniline?
The canonical SMILES for 4-chloro-2-[(Z)-N-(3-chloroanilino)-C-methylcarbonimidoyl]-N-methylaniline is CNc1ccc(Cl)cc1/C(C)=N\Nc1cccc(Cl)c1.
What is the InChIKey of 4-chloro-2-[(Z)-N-(3-chloroanilino)-C-methylcarbonimidoyl]-N-methylaniline?
The InChIKey is RYADYYBIQRVSBX-GRSHGNNSSA-N. The full InChI is InChI=1S/C15H15Cl2N3/c1-10(14-9-12(17)6-7-15(14)18-2)19-20-13-5-3-4-11(16)8-13/h3-9,18,20H,1-2H3/b19-10-.
What are the key properties of 4-chloro-2-[(Z)-N-(3-chloroanilino)-C-methylcarbonimidoyl]-N-methylaniline?
4-chloro-2-[(Z)-N-(3-chloroanilino)-C-methylcarbonimidoyl]-N-methylaniline has a molecular weight of 308.21 g/mol, XLogP of 4.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(Z)-N-(3-chloroanilino)-C-methylcarbonimidoyl]-N-methylaniline is sourced from PubChem (CID 90733537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).