[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate

C23H19F2NO6 — CID 2449059

IUPAC[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
SMILESO=C(COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C23H19F2NO6/c24-23(25)32-17-10-8-16(9-11-17)19(27)14-31-22(29)18(13-15-5-2-1-3-6-15)26-21(28)20-7-4-12-30-20/h1-12,18,23H,13-14H2,(H,26,28)/t18-/m0/s1
InChIKeyCPTZQCBPVOGTHB-SFHVURJKSA-N
MW443.40 g/mol
LogP3.65
Rot. Bonds10

About [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate

[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate (PubChem CID 2449059) has the molecular formula C23H19F2NO6 and a molecular weight of 443.40 g/mol. Its IUPAC name is [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate.

Molecular Properties

Compound Name[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
PubChem CID2449059
Molecular FormulaC23H19F2NO6
Molecular Weight443.40 g/mol
Exact Mass443.12
IUPAC Name[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
SMILESO=C(COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C23H19F2NO6/c24-23(25)32-17-10-8-16(9-11-17)19(27)14-31-22(29)18(13-15-5-2-1-3-6-15)26-21(28)20-7-4-12-30-20/h1-12,18,23H,13-14H2,(H,26,28)/t18-/m0/s1
InChIKeyCPTZQCBPVOGTHB-SFHVURJKSA-N
XLogP3.65
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.40
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-methylphenyl)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 7030612
[2-(4-benzamidophenyl)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 55925984
ethyl 2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 43877560
[2-oxo-2-(propan-2-ylamino)ethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 7567017
[2-(1,2-diphenylethylamino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 55929358
[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 8578902
[2-oxo-2-(propylamino)ethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 7567045
phenacyl (2S)-2-[(4-chlorobenzoyl)amino]-3-phenylpropanoate
CID 40796590
[(2S)-2-benzamido-3-phenylpropyl] (2R)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 127025927
2-(4-methylphenoxy)ethyl (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 8578888
[2-(4-methoxyphenyl)-2-oxoethyl] (2S)-2-acetamido-3-phenylpropanoate
CID 7371261
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 55926961

Frequently Asked Questions

What is the IUPAC name of [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate?
The IUPAC name of [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate (CID 2449059) is [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate.
What is the SMILES notation for [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate?
The canonical SMILES for [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate is O=C(COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1)c1ccc(OC(F)F)cc1.
What is the InChIKey of [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate?
The InChIKey is CPTZQCBPVOGTHB-SFHVURJKSA-N. The full InChI is InChI=1S/C23H19F2NO6/c24-23(25)32-17-10-8-16(9-11-17)19(27)14-31-22(29)18(13-15-5-2-1-3-6-15)26-21(28)20-7-4-12-30-20/h1-12,18,23H,13-14H2,(H,26,28)/t18-/m0/s1.
What are the key properties of [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate?
[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate has a molecular weight of 443.40 g/mol, XLogP of 3.65, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate is sourced from PubChem (CID 2449059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).