[3-(trifluoromethyl)phenyl]methyl (2R)-2-(furan-2-carbonylamino)propanoate

C16H14F3NO4 — CID 2427745

IUPAC[3-(trifluoromethyl)phenyl]methyl (2R)-2-(furan-2-carbonylamino)propanoate
SMILESC[C@@H](NC(=O)c1ccco1)C(=O)OCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H14F3NO4/c1-10(20-14(21)13-6-3-7-23-13)15(22)24-9-11-4-2-5-12(8-11)16(17,18)19/h2-8,10H,9H2,1H3,(H,20,21)/t10-/m1/s1
InChIKeyLGMLMGRQYXXSCB-SNVBAGLBSA-N
MW341.29 g/mol
LogP3.16
Rot. Bonds5

About [3-(trifluoromethyl)phenyl]methyl (2R)-2-(furan-2-carbonylamino)propanoate

[3-(trifluoromethyl)phenyl]methyl (2R)-2-(furan-2-carbonylamino)propanoate (PubChem CID 2427745) has the molecular formula C16H14F3NO4 and a molecular weight of 341.29 g/mol. Its IUPAC name is [3-(trifluoromethyl)phenyl]methyl (2R)-2-(furan-2-carbonylamino)propanoate.

Molecular Properties

Compound Name[3-(trifluoromethyl)phenyl]methyl (2R)-2-(furan-2-carbonylamino)propanoate
PubChem CID2427745
Molecular FormulaC16H14F3NO4
Molecular Weight341.29 g/mol
Exact Mass341.09
IUPAC Name[3-(trifluoromethyl)phenyl]methyl (2R)-2-(furan-2-carbonylamino)propanoate
SMILESC[C@@H](NC(=O)c1ccco1)C(=O)OCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H14F3NO4/c1-10(20-14(21)13-6-3-7-23-13)15(22)24-9-11-4-2-5-12(8-11)16(17,18)19/h2-8,10H,9H2,1H3,(H,20,21)/t10-/m1/s1
InChIKeyLGMLMGRQYXXSCB-SNVBAGLBSA-N
XLogP3.16
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]furan-2-carboxamide
CID 42561579
N-[1-oxo-1-[1-[3-(trifluoromethyl)phenyl]ethylamino]propan-2-yl]furan-2-carboxamide
CID 51150523
N-[1-oxo-1-[2-[3-(trifluoromethyl)phenoxy]ethylamino]propan-2-yl]furan-2-carboxamide
CID 51120496
[3-fluoro-4-(2-fluorophenoxy)phenyl]methyl (2S)-2-(furan-2-carbonylamino)propanoate
CID 167980898
N-[(2R)-1-oxo-1-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]propan-2-yl]furan-2-carboxamide
CID 30341754
N-[(2R)-1-oxo-1-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-2-yl]furan-2-carboxamide
CID 51954176
[3-(trifluoromethyl)phenyl]methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 55927693
methyl 2-[2-(furan-2-carbonylamino)propanoyloxymethyl]furan-3-carboxylate
CID 42936087
(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl (2S)-2-(furan-2-carbonylamino)propanoate
CID 51485714
(2S)-2-(furan-2-carbonylamino)propanoic acid
CID 792932
N-[2-nitro-2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]furan-2-carboxamide
CID 140515165
N-[1-oxo-3-phenyl-1-[3-(trifluoromethyl)anilino]propan-2-yl]furan-2-carboxamide
CID 112762822

Frequently Asked Questions

What is the IUPAC name of [3-(trifluoromethyl)phenyl]methyl (2R)-2-(furan-2-carbonylamino)propanoate?
The IUPAC name of [3-(trifluoromethyl)phenyl]methyl (2R)-2-(furan-2-carbonylamino)propanoate (CID 2427745) is [3-(trifluoromethyl)phenyl]methyl (2R)-2-(furan-2-carbonylamino)propanoate.
What is the SMILES notation for [3-(trifluoromethyl)phenyl]methyl (2R)-2-(furan-2-carbonylamino)propanoate?
The canonical SMILES for [3-(trifluoromethyl)phenyl]methyl (2R)-2-(furan-2-carbonylamino)propanoate is C[C@@H](NC(=O)c1ccco1)C(=O)OCc1cccc(C(F)(F)F)c1.
What is the InChIKey of [3-(trifluoromethyl)phenyl]methyl (2R)-2-(furan-2-carbonylamino)propanoate?
The InChIKey is LGMLMGRQYXXSCB-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H14F3NO4/c1-10(20-14(21)13-6-3-7-23-13)15(22)24-9-11-4-2-5-12(8-11)16(17,18)19/h2-8,10H,9H2,1H3,(H,20,21)/t10-/m1/s1.
What are the key properties of [3-(trifluoromethyl)phenyl]methyl (2R)-2-(furan-2-carbonylamino)propanoate?
[3-(trifluoromethyl)phenyl]methyl (2R)-2-(furan-2-carbonylamino)propanoate has a molecular weight of 341.29 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(trifluoromethyl)phenyl]methyl (2R)-2-(furan-2-carbonylamino)propanoate is sourced from PubChem (CID 2427745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).