methyl 2-(4-fluoroanilino)-4-(4-methylphenyl)benzoate;propane

C24H26FNO2 — CID 143291749

IUPACmethyl 2-(4-fluoroanilino)-4-(4-methylphenyl)benzoate;propane
SMILESCCC.COC(=O)c1ccc(-c2ccc(C)cc2)cc1Nc1ccc(F)cc1
InChIInChI=1S/C21H18FNO2.C3H8/c1-14-3-5-15(6-4-14)16-7-12-19(21(24)25-2)20(13-16)23-18-10-8-17(22)9-11-18;1-3-2/h3-13,23H,1-2H3;3H2,1-2H3
InChIKeyLRZYBJPXIQIETG-UHFFFAOYSA-N
MW379.48 g/mol
LogP6.75
Rot. Bonds4

About methyl 2-(4-fluoroanilino)-4-(4-methylphenyl)benzoate;propane

methyl 2-(4-fluoroanilino)-4-(4-methylphenyl)benzoate;propane (PubChem CID 143291749) has the molecular formula C24H26FNO2 and a molecular weight of 379.48 g/mol. Its IUPAC name is methyl 2-(4-fluoroanilino)-4-(4-methylphenyl)benzoate;propane.

Molecular Properties

Compound Namemethyl 2-(4-fluoroanilino)-4-(4-methylphenyl)benzoate;propane
PubChem CID143291749
Molecular FormulaC24H26FNO2
Molecular Weight379.48 g/mol
Exact Mass379.19
IUPAC Namemethyl 2-(4-fluoroanilino)-4-(4-methylphenyl)benzoate;propane
SMILESCCC.COC(=O)c1ccc(-c2ccc(C)cc2)cc1Nc1ccc(F)cc1
InChIInChI=1S/C21H18FNO2.C3H8/c1-14-3-5-15(6-4-14)16-7-12-19(21(24)25-2)20(13-16)23-18-10-8-17(22)9-11-18;1-3-2/h3-13,23H,1-2H3;3H2,1-2H3
InChIKeyLRZYBJPXIQIETG-UHFFFAOYSA-N
XLogP6.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.48
LogP ≤ 56.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

dimethyl 2,5-bis(4-fluoroanilino)benzene-1,4-dicarboxylate
CID 21058668
methyl 2-(4-fluoroanilino)-4-(4-phenylbutyl)benzoate
CID 68957993
4-(4-tert-butylphenyl)-2-(4-fluoroanilino)benzoic acid
CID 68962853
ethane;methyl 2-(4-methylanilino)benzoate
CID 91139504
dimethyl 3,4-bis(4-fluoroanilino)benzene-1,2-dicarboxylate
CID 22076407
ethyl 4-(4-fluorophenyl)-2-hydroxybenzoate
CID 125477835
2-(4-fluoroanilino)-4-(4-fluoro-2-methylphenyl)benzoic acid
CID 68963266
tert-butyl 4-bromo-2-(4-fluoroanilino)benzoate;tert-butyl 2-(4-fluoroanilino)-4-(4-hydroxyphenyl)benzoate;2-(4-fluoroanilino)-4-(4-hydroxyphenyl)benzoic acid
CID 160614339
2-(4-fluoroanilino)-5-methylbenzoic acid
CID 55222818
tert-butyl 4-bromo-2-(4-fluoroanilino)benzoate
CID 68956988
tert-butyl 2-(4-fluoroanilino)-4-nitrobenzoate
CID 68965268
methyl 2-amino-3-(4-methylanilino)benzoate
CID 113332500

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-fluoroanilino)-4-(4-methylphenyl)benzoate;propane?
The IUPAC name of methyl 2-(4-fluoroanilino)-4-(4-methylphenyl)benzoate;propane (CID 143291749) is methyl 2-(4-fluoroanilino)-4-(4-methylphenyl)benzoate;propane.
What is the SMILES notation for methyl 2-(4-fluoroanilino)-4-(4-methylphenyl)benzoate;propane?
The canonical SMILES for methyl 2-(4-fluoroanilino)-4-(4-methylphenyl)benzoate;propane is CCC.COC(=O)c1ccc(-c2ccc(C)cc2)cc1Nc1ccc(F)cc1.
What is the InChIKey of methyl 2-(4-fluoroanilino)-4-(4-methylphenyl)benzoate;propane?
The InChIKey is LRZYBJPXIQIETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO2.C3H8/c1-14-3-5-15(6-4-14)16-7-12-19(21(24)25-2)20(13-16)23-18-10-8-17(22)9-11-18;1-3-2/h3-13,23H,1-2H3;3H2,1-2H3.
What are the key properties of methyl 2-(4-fluoroanilino)-4-(4-methylphenyl)benzoate;propane?
methyl 2-(4-fluoroanilino)-4-(4-methylphenyl)benzoate;propane has a molecular weight of 379.48 g/mol, XLogP of 6.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-fluoroanilino)-4-(4-methylphenyl)benzoate;propane is sourced from PubChem (CID 143291749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).