[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-hydroxybenzoate

C21H16FNO4 — CID 2646591

IUPAC[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-hydroxybenzoate
SMILESO=C(O[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)c1ccccc1O
InChIInChI=1S/C21H16FNO4/c22-15-10-12-16(13-11-15)23-20(25)19(14-6-2-1-3-7-14)27-21(26)17-8-4-5-9-18(17)24/h1-13,19,24H,(H,23,25)/t19-/m0/s1
InChIKeyURTQTXUDAJVEBW-IBGZPJMESA-N
MW365.36 g/mol
LogP4.07
Rot. Bonds5

About [(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-hydroxybenzoate

[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-hydroxybenzoate (PubChem CID 2646591) has the molecular formula C21H16FNO4 and a molecular weight of 365.36 g/mol. Its IUPAC name is [(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-hydroxybenzoate.

Molecular Properties

Compound Name[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-hydroxybenzoate
PubChem CID2646591
Molecular FormulaC21H16FNO4
Molecular Weight365.36 g/mol
Exact Mass365.11
IUPAC Name[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-hydroxybenzoate
SMILESO=C(O[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)c1ccccc1O
InChIInChI=1S/C21H16FNO4/c22-15-10-12-16(13-11-15)23-20(25)19(14-6-2-1-3-7-14)27-21(26)17-8-4-5-9-18(17)24/h1-13,19,24H,(H,23,25)/t19-/m0/s1
InChIKeyURTQTXUDAJVEBW-IBGZPJMESA-N
XLogP4.07
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-methylfuran-3-carboxylate
CID 7663789
[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2,6-difluorobenzoate
CID 7725604
[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2,5-dimethylfuran-3-carboxylate
CID 2646842
[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-(carbamoylamino)benzoate
CID 42971872
[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-chlorobenzoate
CID 7890444
[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-(difluoromethoxy)-3-methoxybenzoate
CID 55326258
[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 3-methylthiophene-2-carboxylate
CID 7504677
[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-(cyclopropanecarbonylamino)benzoate
CID 55320929
[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2,5-dimethoxybenzoate
CID 7486928
[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] propanoate
CID 42902056
[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-methyl-5-methylsulfonylbenzoate
CID 16518158
[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-chloro-5-methylsulfonylbenzoate
CID 16517612

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-hydroxybenzoate?
The IUPAC name of [(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-hydroxybenzoate (CID 2646591) is [(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-hydroxybenzoate.
What is the SMILES notation for [(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-hydroxybenzoate?
The canonical SMILES for [(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-hydroxybenzoate is O=C(O[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)c1ccccc1O.
What is the InChIKey of [(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-hydroxybenzoate?
The InChIKey is URTQTXUDAJVEBW-IBGZPJMESA-N. The full InChI is InChI=1S/C21H16FNO4/c22-15-10-12-16(13-11-15)23-20(25)19(14-6-2-1-3-7-14)27-21(26)17-8-4-5-9-18(17)24/h1-13,19,24H,(H,23,25)/t19-/m0/s1.
What are the key properties of [(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-hydroxybenzoate?
[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-hydroxybenzoate has a molecular weight of 365.36 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-hydroxybenzoate is sourced from PubChem (CID 2646591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).