[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-chlorobenzoate

C21H15ClFNO3 — CID 7890444

IUPAC[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-chlorobenzoate
SMILESO=C(O[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H15ClFNO3/c22-16-8-6-15(7-9-16)21(26)27-19(14-4-2-1-3-5-14)20(25)24-18-12-10-17(23)11-13-18/h1-13,19H,(H,24,25)/t19-/m1/s1
InChIKeyGFZJFDXBBRQYJW-LJQANCHMSA-N
MW383.81 g/mol
LogP5.02
Rot. Bonds5

About [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-chlorobenzoate

[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-chlorobenzoate (PubChem CID 7890444) has the molecular formula C21H15ClFNO3 and a molecular weight of 383.81 g/mol. Its IUPAC name is [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-chlorobenzoate.

Molecular Properties

Compound Name[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-chlorobenzoate
PubChem CID7890444
Molecular FormulaC21H15ClFNO3
Molecular Weight383.81 g/mol
Exact Mass383.07
IUPAC Name[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-chlorobenzoate
SMILESO=C(O[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H15ClFNO3/c22-16-8-6-15(7-9-16)21(26)27-19(14-4-2-1-3-5-14)20(25)24-18-12-10-17(23)11-13-18/h1-13,19H,(H,24,25)/t19-/m1/s1
InChIKeyGFZJFDXBBRQYJW-LJQANCHMSA-N
XLogP5.02
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.81
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-(carbamoylamino)benzoate
CID 42971872
[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 6-chloropyridine-3-carboxylate
CID 2646722
[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-(cyclopropanecarbonylamino)benzoate
CID 55320929
[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2,6-difluorobenzoate
CID 7725604
[2-oxo-1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anilino]ethyl] 4-fluorobenzoate
CID 154573595
[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-hydroxybenzoate
CID 2646591
[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-chloropyridine-2-carboxylate
CID 8904885
[(1R)-2-oxo-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl] 4-chlorobenzoate
CID 2360642
[(1S)-2-oxo-1,2-diphenylethyl] 4-chlorobenzoate
CID 2360889
[(1R)-2-(4-chlorophenyl)-2-oxo-1-phenylethyl] 4-[(4-methylbenzoyl)amino]benzoate
CID 126187705
(2S,3S)-2,3-dibenzoyloxy-4-(4-fluoroanilino)-4-oxobutanoic acid
CID 41301838
[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-methyl-3-nitrobenzoate
CID 46794981

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-chlorobenzoate?
The IUPAC name of [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-chlorobenzoate (CID 7890444) is [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-chlorobenzoate.
What is the SMILES notation for [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-chlorobenzoate?
The canonical SMILES for [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-chlorobenzoate is O=C(O[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-chlorobenzoate?
The InChIKey is GFZJFDXBBRQYJW-LJQANCHMSA-N. The full InChI is InChI=1S/C21H15ClFNO3/c22-16-8-6-15(7-9-16)21(26)27-19(14-4-2-1-3-5-14)20(25)24-18-12-10-17(23)11-13-18/h1-13,19H,(H,24,25)/t19-/m1/s1.
What are the key properties of [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-chlorobenzoate?
[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-chlorobenzoate has a molecular weight of 383.81 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-chlorobenzoate is sourced from PubChem (CID 7890444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).