3-chloro-N-[(Z)-1-(4-fluorophenyl)propylideneamino]-4-methylaniline

C16H16ClFN2 — CID 7612601

IUPAC3-chloro-N-[(Z)-1-(4-fluorophenyl)propylideneamino]-4-methylaniline
SMILESCC/C(=N/Nc1ccc(C)c(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C16H16ClFN2/c1-3-16(12-5-7-13(18)8-6-12)20-19-14-9-4-11(2)15(17)10-14/h4-10,19H,3H2,1-2H3/b20-16-
InChIKeyXIWQHFNGRALQOK-SILNSSARSA-N
MW290.77 g/mol
LogP5.01
Rot. Bonds4

About 3-chloro-N-[(Z)-1-(4-fluorophenyl)propylideneamino]-4-methylaniline

3-chloro-N-[(Z)-1-(4-fluorophenyl)propylideneamino]-4-methylaniline (PubChem CID 7612601) has the molecular formula C16H16ClFN2 and a molecular weight of 290.77 g/mol. Its IUPAC name is 3-chloro-N-[(Z)-1-(4-fluorophenyl)propylideneamino]-4-methylaniline.

Molecular Properties

Compound Name3-chloro-N-[(Z)-1-(4-fluorophenyl)propylideneamino]-4-methylaniline
PubChem CID7612601
Molecular FormulaC16H16ClFN2
Molecular Weight290.77 g/mol
Exact Mass290.10
IUPAC Name3-chloro-N-[(Z)-1-(4-fluorophenyl)propylideneamino]-4-methylaniline
SMILESCC/C(=N/Nc1ccc(C)c(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C16H16ClFN2/c1-3-16(12-5-7-13(18)8-6-12)20-19-14-9-4-11(2)15(17)10-14/h4-10,19H,3H2,1-2H3/b20-16-
InChIKeyXIWQHFNGRALQOK-SILNSSARSA-N
XLogP5.01
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.77
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-chloro-4-methyl-N-[(Z)-(3-methyl-1-phenylbutylidene)amino]aniline
CID 7612604
3-chloro-N-[1-(4-fluorophenyl)propyl]-4-methylaniline
CID 43104292
3-chloro-4-methyl-N-(propylideneamino)aniline
CID 110842508
4-[(2Z)-2-[1-(4-hydroxyphenyl)propylidene]hydrazinyl]benzoic acid
CID 136713353
2-[(3-chloro-4-methylphenyl)hydrazinylidene]-1,2-diphenylethanone
CID 3415921
2-(3-chloro-4-methylanilino)-1-(3-fluorophenyl)ethanol
CID 60898780
1-[(Z)-1-(4-fluorophenyl)propylideneamino]-3-methylthiourea
CID 8972850
N-[1-(3,5-dichloro-2-hydroxyphenyl)propylideneamino]-4-fluorobenzamide
CID 3388426
N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)propylideneamino]-4-fluorobenzamide
CID 135691033
N-(3-chloro-4-methylphenyl)-2-[(4-fluorophenyl)methylamino]acetamide
CID 108997773
2-(3-chloro-4-methylanilino)-1-(2,4-difluorophenyl)ethanol
CID 60898778
N-(3-chloro-4-methylphenyl)-4-(propanoylamino)benzamide
CID 2984948

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(Z)-1-(4-fluorophenyl)propylideneamino]-4-methylaniline?
The IUPAC name of 3-chloro-N-[(Z)-1-(4-fluorophenyl)propylideneamino]-4-methylaniline (CID 7612601) is 3-chloro-N-[(Z)-1-(4-fluorophenyl)propylideneamino]-4-methylaniline.
What is the SMILES notation for 3-chloro-N-[(Z)-1-(4-fluorophenyl)propylideneamino]-4-methylaniline?
The canonical SMILES for 3-chloro-N-[(Z)-1-(4-fluorophenyl)propylideneamino]-4-methylaniline is CC/C(=N/Nc1ccc(C)c(Cl)c1)c1ccc(F)cc1.
What is the InChIKey of 3-chloro-N-[(Z)-1-(4-fluorophenyl)propylideneamino]-4-methylaniline?
The InChIKey is XIWQHFNGRALQOK-SILNSSARSA-N. The full InChI is InChI=1S/C16H16ClFN2/c1-3-16(12-5-7-13(18)8-6-12)20-19-14-9-4-11(2)15(17)10-14/h4-10,19H,3H2,1-2H3/b20-16-.
What are the key properties of 3-chloro-N-[(Z)-1-(4-fluorophenyl)propylideneamino]-4-methylaniline?
3-chloro-N-[(Z)-1-(4-fluorophenyl)propylideneamino]-4-methylaniline has a molecular weight of 290.77 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(Z)-1-(4-fluorophenyl)propylideneamino]-4-methylaniline is sourced from PubChem (CID 7612601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).