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

C15H15ClFN3 — CID 91332262

IUPAC4-chloro-2-[(Z)-N-(4-fluoroanilino)-C-methylcarbonimidoyl]-N-methylaniline
SMILESCNc1ccc(Cl)cc1/C(C)=N\Nc1ccc(F)cc1
InChIInChI=1S/C15H15ClFN3/c1-10(14-9-11(16)3-8-15(14)18-2)19-20-13-6-4-12(17)5-7-13/h3-9,18,20H,1-2H3/b19-10-
InChIKeyAFELHAZNOQOIDP-GRSHGNNSSA-N
MW291.76 g/mol
LogP4.36
Rot. Bonds4

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

4-chloro-2-[(Z)-N-(4-fluoroanilino)-C-methylcarbonimidoyl]-N-methylaniline (PubChem CID 91332262) has the molecular formula C15H15ClFN3 and a molecular weight of 291.76 g/mol. Its IUPAC name is 4-chloro-2-[(Z)-N-(4-fluoroanilino)-C-methylcarbonimidoyl]-N-methylaniline.

Molecular Properties

Compound Name4-chloro-2-[(Z)-N-(4-fluoroanilino)-C-methylcarbonimidoyl]-N-methylaniline
PubChem CID91332262
Molecular FormulaC15H15ClFN3
Molecular Weight291.76 g/mol
Exact Mass291.09
IUPAC Name4-chloro-2-[(Z)-N-(4-fluoroanilino)-C-methylcarbonimidoyl]-N-methylaniline
SMILESCNc1ccc(Cl)cc1/C(C)=N\Nc1ccc(F)cc1
InChIInChI=1S/C15H15ClFN3/c1-10(14-9-11(16)3-8-15(14)18-2)19-20-13-6-4-12(17)5-7-13/h3-9,18,20H,1-2H3/b19-10-
InChIKeyAFELHAZNOQOIDP-GRSHGNNSSA-N
XLogP4.36
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 54.36
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'}

Analyze 4-chloro-2-[(Z)-N-(4-fluoroanilino)-C-methylcarbonimidoyl]-N-methylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-dichloro-N-[(Z)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]aniline
CID 91183805
4-chloro-2-[(Z)-N-(3-chloroanilino)-C-methylcarbonimidoyl]-N-methylaniline
CID 90733537
N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-4-fluoroaniline
CID 8826053
4-chloro-N-[(Z)-1-(2-fluorophenyl)ethylideneamino]aniline
CID 7937205
2-[(E)-N-anilino-C-ethylcarbonimidoyl]-4-chloro-N-methylaniline
CID 58987816
4-chloro-N-methyl-2-[(Z)-C-methyl-N-piperidin-1-ylcarbonimidoyl]aniline
CID 91415552
1-[(Z)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]imidazolidine-2,4-dione
CID 91500784
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
5-chloro-N-(2,5-difluorophenyl)-2-(methylamino)benzamide
CID 62172768
4-chloro-2-[(Z)-N-(3-fluoro-N-propan-2-ylanilino)-C-methylcarbonimidoyl]-N-methylaniline
CID 91306521
4-chloro-N-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-methylbenzamide
CID 58987672

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(Z)-N-(4-fluoroanilino)-C-methylcarbonimidoyl]-N-methylaniline?
The IUPAC name of 4-chloro-2-[(Z)-N-(4-fluoroanilino)-C-methylcarbonimidoyl]-N-methylaniline (CID 91332262) is 4-chloro-2-[(Z)-N-(4-fluoroanilino)-C-methylcarbonimidoyl]-N-methylaniline.
What is the SMILES notation for 4-chloro-2-[(Z)-N-(4-fluoroanilino)-C-methylcarbonimidoyl]-N-methylaniline?
The canonical SMILES for 4-chloro-2-[(Z)-N-(4-fluoroanilino)-C-methylcarbonimidoyl]-N-methylaniline is CNc1ccc(Cl)cc1/C(C)=N\Nc1ccc(F)cc1.
What is the InChIKey of 4-chloro-2-[(Z)-N-(4-fluoroanilino)-C-methylcarbonimidoyl]-N-methylaniline?
The InChIKey is AFELHAZNOQOIDP-GRSHGNNSSA-N. The full InChI is InChI=1S/C15H15ClFN3/c1-10(14-9-11(16)3-8-15(14)18-2)19-20-13-6-4-12(17)5-7-13/h3-9,18,20H,1-2H3/b19-10-.
What are the key properties of 4-chloro-2-[(Z)-N-(4-fluoroanilino)-C-methylcarbonimidoyl]-N-methylaniline?
4-chloro-2-[(Z)-N-(4-fluoroanilino)-C-methylcarbonimidoyl]-N-methylaniline has a molecular weight of 291.76 g/mol, XLogP of 4.36, 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-(4-fluoroanilino)-C-methylcarbonimidoyl]-N-methylaniline is sourced from PubChem (CID 91332262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).