[2-(3-fluoroanilino)-2-oxoethyl] 2-(2,3-dimethylanilino)benzoate

C23H21FN2O3 — CID 7752549

IUPAC[2-(3-fluoroanilino)-2-oxoethyl] 2-(2,3-dimethylanilino)benzoate
SMILESCc1cccc(Nc2ccccc2C(=O)OCC(=O)Nc2cccc(F)c2)c1C
InChIInChI=1S/C23H21FN2O3/c1-15-7-5-12-20(16(15)2)26-21-11-4-3-10-19(21)23(28)29-14-22(27)25-18-9-6-8-17(24)13-18/h3-13,26H,14H2,1-2H3,(H,25,27)
InChIKeyFGNIROATCCGNSO-UHFFFAOYSA-N
MW392.43 g/mol
LogP4.98
Rot. Bonds6

About [2-(3-fluoroanilino)-2-oxoethyl] 2-(2,3-dimethylanilino)benzoate

[2-(3-fluoroanilino)-2-oxoethyl] 2-(2,3-dimethylanilino)benzoate (PubChem CID 7752549) has the molecular formula C23H21FN2O3 and a molecular weight of 392.43 g/mol. Its IUPAC name is [2-(3-fluoroanilino)-2-oxoethyl] 2-(2,3-dimethylanilino)benzoate.

Molecular Properties

Compound Name[2-(3-fluoroanilino)-2-oxoethyl] 2-(2,3-dimethylanilino)benzoate
PubChem CID7752549
Molecular FormulaC23H21FN2O3
Molecular Weight392.43 g/mol
Exact Mass392.15
IUPAC Name[2-(3-fluoroanilino)-2-oxoethyl] 2-(2,3-dimethylanilino)benzoate
SMILESCc1cccc(Nc2ccccc2C(=O)OCC(=O)Nc2cccc(F)c2)c1C
InChIInChI=1S/C23H21FN2O3/c1-15-7-5-12-20(16(15)2)26-21-11-4-3-10-19(21)23(28)29-14-22(27)25-18-9-6-8-17(24)13-18/h3-13,26H,14H2,1-2H3,(H,25,27)
InChIKeyFGNIROATCCGNSO-UHFFFAOYSA-N
XLogP4.98
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-(2,3-dimethylanilino)benzoate
CID 2425038
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(2,3-dimethylanilino)benzoate
CID 7752683
[2-oxo-2-(propan-2-ylamino)ethyl] 2-(2,3-dimethylanilino)benzoate
CID 2568929
[2-(4-bromo-3-methylanilino)-2-oxoethyl] 2-anilinobenzoate
CID 3287934
[2-(cyclopropylamino)-2-oxoethyl] 2-(2,3-dimethylanilino)benzoate
CID 2568997
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 2-anilinobenzoate
CID 7857721
[2-(3-fluoroanilino)-2-oxoethyl] (2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoate
CID 7573318
[2-(3-fluoroanilino)-2-oxoethyl] 2-[2-(3-fluoroanilino)-2-oxoethyl]sulfanylbenzoate
CID 29142837
[2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-fluoroanilino)benzoate
CID 4791061
[2-(3-fluoroanilino)-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 2691652
[2-(3-fluoroanilino)-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9386670
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylbenzoate
CID 42114247

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluoroanilino)-2-oxoethyl] 2-(2,3-dimethylanilino)benzoate?
The IUPAC name of [2-(3-fluoroanilino)-2-oxoethyl] 2-(2,3-dimethylanilino)benzoate (CID 7752549) is [2-(3-fluoroanilino)-2-oxoethyl] 2-(2,3-dimethylanilino)benzoate.
What is the SMILES notation for [2-(3-fluoroanilino)-2-oxoethyl] 2-(2,3-dimethylanilino)benzoate?
The canonical SMILES for [2-(3-fluoroanilino)-2-oxoethyl] 2-(2,3-dimethylanilino)benzoate is Cc1cccc(Nc2ccccc2C(=O)OCC(=O)Nc2cccc(F)c2)c1C.
What is the InChIKey of [2-(3-fluoroanilino)-2-oxoethyl] 2-(2,3-dimethylanilino)benzoate?
The InChIKey is FGNIROATCCGNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O3/c1-15-7-5-12-20(16(15)2)26-21-11-4-3-10-19(21)23(28)29-14-22(27)25-18-9-6-8-17(24)13-18/h3-13,26H,14H2,1-2H3,(H,25,27).
What are the key properties of [2-(3-fluoroanilino)-2-oxoethyl] 2-(2,3-dimethylanilino)benzoate?
[2-(3-fluoroanilino)-2-oxoethyl] 2-(2,3-dimethylanilino)benzoate has a molecular weight of 392.43 g/mol, XLogP of 4.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluoroanilino)-2-oxoethyl] 2-(2,3-dimethylanilino)benzoate is sourced from PubChem (CID 7752549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).