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

C20H14ClFN2O3 — CID 8904885

IUPAC[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-chloropyridine-2-carboxylate
SMILESO=C(O[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)c1cc(Cl)ccn1
InChIInChI=1S/C20H14ClFN2O3/c21-14-10-11-23-17(12-14)20(26)27-18(13-4-2-1-3-5-13)19(25)24-16-8-6-15(22)7-9-16/h1-12,18H,(H,24,25)/t18-/m0/s1
InChIKeyNIDYZKORGNPMLE-SFHVURJKSA-N
MW384.79 g/mol
LogP4.41
Rot. Bonds5

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

[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-chloropyridine-2-carboxylate (PubChem CID 8904885) has the molecular formula C20H14ClFN2O3 and a molecular weight of 384.79 g/mol. Its IUPAC name is [(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-chloropyridine-2-carboxylate.

Molecular Properties

Compound Name[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-chloropyridine-2-carboxylate
PubChem CID8904885
Molecular FormulaC20H14ClFN2O3
Molecular Weight384.79 g/mol
Exact Mass384.07
IUPAC Name[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-chloropyridine-2-carboxylate
SMILESO=C(O[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)c1cc(Cl)ccn1
InChIInChI=1S/C20H14ClFN2O3/c21-14-10-11-23-17(12-14)20(26)27-18(13-4-2-1-3-5-13)19(25)24-16-8-6-15(22)7-9-16/h1-12,18H,(H,24,25)/t18-/m0/s1
InChIKeyNIDYZKORGNPMLE-SFHVURJKSA-N
XLogP4.41
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.79
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-chlorobenzoate
CID 7890444
[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 6-chloropyridine-3-carboxylate
CID 2646722
[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-hydroxybenzoate
CID 2646591
[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2,6-difluorobenzoate
CID 7725604
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 4-chloropyridine-2-carboxylate
CID 8904838
[(2S)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 4-chloropyridine-2-carboxylate
CID 8905524
[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-chloro-5-methylsulfonylbenzoate
CID 16517612
[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-(carbamoylamino)benzoate
CID 42971872
[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-methylfuran-3-carboxylate
CID 7663789
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-[(4-chloropyridine-2-carbonyl)amino]acetate
CID 8854034
[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2,5-dimethylfuran-3-carboxylate
CID 2646842
[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] propanoate
CID 42902056

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-chloropyridine-2-carboxylate?
The IUPAC name of [(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-chloropyridine-2-carboxylate (CID 8904885) is [(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-chloropyridine-2-carboxylate.
What is the SMILES notation for [(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-chloropyridine-2-carboxylate?
The canonical SMILES for [(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-chloropyridine-2-carboxylate is O=C(O[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)c1cc(Cl)ccn1.
What is the InChIKey of [(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-chloropyridine-2-carboxylate?
The InChIKey is NIDYZKORGNPMLE-SFHVURJKSA-N. The full InChI is InChI=1S/C20H14ClFN2O3/c21-14-10-11-23-17(12-14)20(26)27-18(13-4-2-1-3-5-13)19(25)24-16-8-6-15(22)7-9-16/h1-12,18H,(H,24,25)/t18-/m0/s1.
What are the key properties of [(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-chloropyridine-2-carboxylate?
[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-chloropyridine-2-carboxylate has a molecular weight of 384.79 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 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] 4-chloropyridine-2-carboxylate is sourced from PubChem (CID 8904885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).