ethyl (2R)-3-(4-fluorophenyl)-2-(furan-2-carbonylamino)propanoate

C16H16FNO4 — CID 66813442

IUPACethyl (2R)-3-(4-fluorophenyl)-2-(furan-2-carbonylamino)propanoate
SMILESCCOC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccco1
InChIInChI=1S/C16H16FNO4/c1-2-21-16(20)13(10-11-5-7-12(17)8-6-11)18-15(19)14-4-3-9-22-14/h3-9,13H,2,10H2,1H3,(H,18,19)/t13-/m1/s1
InChIKeyHLMJNORXZLGQAT-CYBMUJFWSA-N
MW305.31 g/mol
LogP2.32
Rot. Bonds6

About ethyl (2R)-3-(4-fluorophenyl)-2-(furan-2-carbonylamino)propanoate

ethyl (2R)-3-(4-fluorophenyl)-2-(furan-2-carbonylamino)propanoate (PubChem CID 66813442) has the molecular formula C16H16FNO4 and a molecular weight of 305.31 g/mol. Its IUPAC name is ethyl (2R)-3-(4-fluorophenyl)-2-(furan-2-carbonylamino)propanoate.

Molecular Properties

Compound Nameethyl (2R)-3-(4-fluorophenyl)-2-(furan-2-carbonylamino)propanoate
PubChem CID66813442
Molecular FormulaC16H16FNO4
Molecular Weight305.31 g/mol
Exact Mass305.11
IUPAC Nameethyl (2R)-3-(4-fluorophenyl)-2-(furan-2-carbonylamino)propanoate
SMILESCCOC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccco1
InChIInChI=1S/C16H16FNO4/c1-2-21-16(20)13(10-11-5-7-12(17)8-6-11)18-15(19)14-4-3-9-22-14/h3-9,13H,2,10H2,1H3,(H,18,19)/t13-/m1/s1
InChIKeyHLMJNORXZLGQAT-CYBMUJFWSA-N
XLogP2.32
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 43877560
[(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
(4-chlorophenyl)methyl (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 8578858
[(E)-but-2-enyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 55936409
[2-oxo-2-(propan-2-ylamino)ethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 7567017
(2-methoxyphenyl)methyl 2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 78761330
[2-(4-methylphenyl)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 7030612
2-(4-methylphenoxy)ethyl (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 8578888
N-[1-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 4881698
ethyl (2S)-2-[(2,6-difluorobenzoyl)amino]-3-(4-hydroxyphenyl)propanoate
CID 66843057
[(2S)-2-benzamido-3-phenylpropyl] (2R)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 127025927

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-3-(4-fluorophenyl)-2-(furan-2-carbonylamino)propanoate?
The IUPAC name of ethyl (2R)-3-(4-fluorophenyl)-2-(furan-2-carbonylamino)propanoate (CID 66813442) is ethyl (2R)-3-(4-fluorophenyl)-2-(furan-2-carbonylamino)propanoate.
What is the SMILES notation for ethyl (2R)-3-(4-fluorophenyl)-2-(furan-2-carbonylamino)propanoate?
The canonical SMILES for ethyl (2R)-3-(4-fluorophenyl)-2-(furan-2-carbonylamino)propanoate is CCOC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccco1.
What is the InChIKey of ethyl (2R)-3-(4-fluorophenyl)-2-(furan-2-carbonylamino)propanoate?
The InChIKey is HLMJNORXZLGQAT-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H16FNO4/c1-2-21-16(20)13(10-11-5-7-12(17)8-6-11)18-15(19)14-4-3-9-22-14/h3-9,13H,2,10H2,1H3,(H,18,19)/t13-/m1/s1.
What are the key properties of ethyl (2R)-3-(4-fluorophenyl)-2-(furan-2-carbonylamino)propanoate?
ethyl (2R)-3-(4-fluorophenyl)-2-(furan-2-carbonylamino)propanoate has a molecular weight of 305.31 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-3-(4-fluorophenyl)-2-(furan-2-carbonylamino)propanoate is sourced from PubChem (CID 66813442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).