[(1R)-1-(4-chlorophenyl)-2-[(4-fluorophenyl)methylamino]-2-oxoethyl] furan-2-carboxylate

C20H15ClFNO4 — CID 1470080

IUPAC[(1R)-1-(4-chlorophenyl)-2-[(4-fluorophenyl)methylamino]-2-oxoethyl] furan-2-carboxylate
SMILESO=C(O[C@@H](C(=O)NCc1ccc(F)cc1)c1ccc(Cl)cc1)c1ccco1
InChIInChI=1S/C20H15ClFNO4/c21-15-7-5-14(6-8-15)18(27-20(25)17-2-1-11-26-17)19(24)23-12-13-3-9-16(22)10-4-13/h1-11,18H,12H2,(H,23,24)/t18-/m1/s1
InChIKeyIUGVCZTWGOUUGK-GOSISDBHSA-N
MW387.79 g/mol
LogP4.29
Rot. Bonds6

About [(1R)-1-(4-chlorophenyl)-2-[(4-fluorophenyl)methylamino]-2-oxoethyl] furan-2-carboxylate

[(1R)-1-(4-chlorophenyl)-2-[(4-fluorophenyl)methylamino]-2-oxoethyl] furan-2-carboxylate (PubChem CID 1470080) has the molecular formula C20H15ClFNO4 and a molecular weight of 387.79 g/mol. Its IUPAC name is [(1R)-1-(4-chlorophenyl)-2-[(4-fluorophenyl)methylamino]-2-oxoethyl] furan-2-carboxylate.

Molecular Properties

Compound Name[(1R)-1-(4-chlorophenyl)-2-[(4-fluorophenyl)methylamino]-2-oxoethyl] furan-2-carboxylate
PubChem CID1470080
Molecular FormulaC20H15ClFNO4
Molecular Weight387.79 g/mol
Exact Mass387.07
IUPAC Name[(1R)-1-(4-chlorophenyl)-2-[(4-fluorophenyl)methylamino]-2-oxoethyl] furan-2-carboxylate
SMILESO=C(O[C@@H](C(=O)NCc1ccc(F)cc1)c1ccc(Cl)cc1)c1ccco1
InChIInChI=1S/C20H15ClFNO4/c21-15-7-5-14(6-8-15)18(27-20(25)17-2-1-11-26-17)19(24)23-12-13-3-9-16(22)10-4-13/h1-11,18H,12H2,(H,23,24)/t18-/m1/s1
InChIKeyIUGVCZTWGOUUGK-GOSISDBHSA-N
XLogP4.29
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.79
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(1S)-2-[(4-fluorophenyl)methylamino]-2-oxo-1-phenylethyl] furan-2-carboxylate
CID 51508279
[1-(4-fluorophenyl)-2-oxo-2-(thiophen-2-ylmethylamino)ethyl] furan-2-carboxylate
CID 648857
[(1R)-2-[(4-methylphenyl)methylamino]-2-oxo-1-phenylethyl] furan-2-carboxylate
CID 1431793
[(1R)-1-(4-methoxyphenyl)-2-[(4-methylphenyl)methylamino]-2-oxoethyl] furan-2-carboxylate
CID 1432029
[2-(benzylamino)-1-(2-fluorophenyl)-2-oxoethyl] furan-2-carboxylate
CID 24792279
N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)-3-(furan-2-yl)propanamide
CID 110296194
[(1S)-1-(4-fluorophenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] furan-2-carboxylate
CID 1470209
[(1R)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl] furan-2-carboxylate
CID 51687864
[(1S)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl] furan-2-carboxylate
CID 51687865
[1-(4-chlorophenyl)-2-(furan-2-ylmethylamino)-2-oxoethyl] thiophene-2-carboxylate
CID 3220319
[(1S)-1-(4-chlorophenyl)-2-(furan-2-ylmethylamino)-2-oxoethyl] thiophene-2-carboxylate
CID 1470232
[(1R)-2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] furan-2-carboxylate
CID 2358430

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(4-chlorophenyl)-2-[(4-fluorophenyl)methylamino]-2-oxoethyl] furan-2-carboxylate?
The IUPAC name of [(1R)-1-(4-chlorophenyl)-2-[(4-fluorophenyl)methylamino]-2-oxoethyl] furan-2-carboxylate (CID 1470080) is [(1R)-1-(4-chlorophenyl)-2-[(4-fluorophenyl)methylamino]-2-oxoethyl] furan-2-carboxylate.
What is the SMILES notation for [(1R)-1-(4-chlorophenyl)-2-[(4-fluorophenyl)methylamino]-2-oxoethyl] furan-2-carboxylate?
The canonical SMILES for [(1R)-1-(4-chlorophenyl)-2-[(4-fluorophenyl)methylamino]-2-oxoethyl] furan-2-carboxylate is O=C(O[C@@H](C(=O)NCc1ccc(F)cc1)c1ccc(Cl)cc1)c1ccco1.
What is the InChIKey of [(1R)-1-(4-chlorophenyl)-2-[(4-fluorophenyl)methylamino]-2-oxoethyl] furan-2-carboxylate?
The InChIKey is IUGVCZTWGOUUGK-GOSISDBHSA-N. The full InChI is InChI=1S/C20H15ClFNO4/c21-15-7-5-14(6-8-15)18(27-20(25)17-2-1-11-26-17)19(24)23-12-13-3-9-16(22)10-4-13/h1-11,18H,12H2,(H,23,24)/t18-/m1/s1.
What are the key properties of [(1R)-1-(4-chlorophenyl)-2-[(4-fluorophenyl)methylamino]-2-oxoethyl] furan-2-carboxylate?
[(1R)-1-(4-chlorophenyl)-2-[(4-fluorophenyl)methylamino]-2-oxoethyl] furan-2-carboxylate has a molecular weight of 387.79 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(4-chlorophenyl)-2-[(4-fluorophenyl)methylamino]-2-oxoethyl] furan-2-carboxylate is sourced from PubChem (CID 1470080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).