4-chloro-2-[(E)-N-(2-fluoro-N-propylanilino)-C-methylcarbonimidoyl]-N-methylaniline

C18H21ClFN3 — CID 58987688

IUPAC4-chloro-2-[(E)-N-(2-fluoro-N-propylanilino)-C-methylcarbonimidoyl]-N-methylaniline
SMILESCCCN(/N=C(\C)c1cc(Cl)ccc1NC)c1ccccc1F
InChIInChI=1S/C18H21ClFN3/c1-4-11-23(18-8-6-5-7-16(18)20)22-13(2)15-12-14(19)9-10-17(15)21-3/h5-10,12,21H,4,11H2,1-3H3/b22-13+
InChIKeyGSSCCVSJBVCAPL-LPYMAVHISA-N
MW333.84 g/mol
LogP5.16
Rot. Bonds6

About 4-chloro-2-[(E)-N-(2-fluoro-N-propylanilino)-C-methylcarbonimidoyl]-N-methylaniline

4-chloro-2-[(E)-N-(2-fluoro-N-propylanilino)-C-methylcarbonimidoyl]-N-methylaniline (PubChem CID 58987688) has the molecular formula C18H21ClFN3 and a molecular weight of 333.84 g/mol. Its IUPAC name is 4-chloro-2-[(E)-N-(2-fluoro-N-propylanilino)-C-methylcarbonimidoyl]-N-methylaniline.

Molecular Properties

Compound Name4-chloro-2-[(E)-N-(2-fluoro-N-propylanilino)-C-methylcarbonimidoyl]-N-methylaniline
PubChem CID58987688
Molecular FormulaC18H21ClFN3
Molecular Weight333.84 g/mol
Exact Mass333.14
IUPAC Name4-chloro-2-[(E)-N-(2-fluoro-N-propylanilino)-C-methylcarbonimidoyl]-N-methylaniline
SMILESCCCN(/N=C(\C)c1cc(Cl)ccc1NC)c1ccccc1F
InChIInChI=1S/C18H21ClFN3/c1-4-11-23(18-8-6-5-7-16(18)20)22-13(2)15-12-14(19)9-10-17(15)21-3/h5-10,12,21H,4,11H2,1-3H3/b22-13+
InChIKeyGSSCCVSJBVCAPL-LPYMAVHISA-N
XLogP5.16
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.84
LogP ≤ 55.16
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'}

Analyze 4-chloro-2-[(E)-N-(2-fluoro-N-propylanilino)-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

4-chloro-2-[(E)-N-(N-ethyl-2-fluoroanilino)-C-methylcarbonimidoyl]-N,N-dimethylaniline
CID 58987755
4-chloro-2-[(Z)-N-(4-chloro-N-ethylanilino)-C-methylcarbonimidoyl]-N-methylaniline
CID 91291692
4-chloro-2-[(E)-N-(2-chloro-N-propylanilino)-C-methylcarbonimidoyl]aniline
CID 89327036
4-chloro-N-methyl-2-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]aniline
CID 58987656
2-[(E)-N-(2-fluoro-N-propylanilino)-C-methylcarbonimidoyl]-4-methylaniline
CID 89329463
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
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-(3,5-dichloro-N-methylanilino)-C-methylcarbonimidoyl]-N-methylaniline
CID 58987806
N-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-methylquinolin-2-amine
CID 58987758
methyl N-[(Z)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-ethylcarbamate
CID 90781958

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(E)-N-(2-fluoro-N-propylanilino)-C-methylcarbonimidoyl]-N-methylaniline?
The IUPAC name of 4-chloro-2-[(E)-N-(2-fluoro-N-propylanilino)-C-methylcarbonimidoyl]-N-methylaniline (CID 58987688) is 4-chloro-2-[(E)-N-(2-fluoro-N-propylanilino)-C-methylcarbonimidoyl]-N-methylaniline.
What is the SMILES notation for 4-chloro-2-[(E)-N-(2-fluoro-N-propylanilino)-C-methylcarbonimidoyl]-N-methylaniline?
The canonical SMILES for 4-chloro-2-[(E)-N-(2-fluoro-N-propylanilino)-C-methylcarbonimidoyl]-N-methylaniline is CCCN(/N=C(\C)c1cc(Cl)ccc1NC)c1ccccc1F.
What is the InChIKey of 4-chloro-2-[(E)-N-(2-fluoro-N-propylanilino)-C-methylcarbonimidoyl]-N-methylaniline?
The InChIKey is GSSCCVSJBVCAPL-LPYMAVHISA-N. The full InChI is InChI=1S/C18H21ClFN3/c1-4-11-23(18-8-6-5-7-16(18)20)22-13(2)15-12-14(19)9-10-17(15)21-3/h5-10,12,21H,4,11H2,1-3H3/b22-13+.
What are the key properties of 4-chloro-2-[(E)-N-(2-fluoro-N-propylanilino)-C-methylcarbonimidoyl]-N-methylaniline?
4-chloro-2-[(E)-N-(2-fluoro-N-propylanilino)-C-methylcarbonimidoyl]-N-methylaniline has a molecular weight of 333.84 g/mol, XLogP of 5.16, 6 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-(2-fluoro-N-propylanilino)-C-methylcarbonimidoyl]-N-methylaniline is sourced from PubChem (CID 58987688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).