methyl (2R)-2-[(3,3-difluoro-5-phenyl-2H-furan-2-yl)amino]-3-phenylpropanoate

C20H19F2NO3 — CID 164673624

IUPACmethyl (2R)-2-[(3,3-difluoro-5-phenyl-2H-furan-2-yl)amino]-3-phenylpropanoate
SMILESCOC(=O)[C@@H](Cc1ccccc1)NC1OC(c2ccccc2)=CC1(F)F
InChIInChI=1S/C20H19F2NO3/c1-25-18(24)16(12-14-8-4-2-5-9-14)23-19-20(21,22)13-17(26-19)15-10-6-3-7-11-15/h2-11,13,16,19,23H,12H2,1H3/t16-,19?/m1/s1
InChIKeyGAFRGBCPOKWKHN-VTBWFHPJSA-N
MW359.37 g/mol
LogP3.39
Rot. Bonds6

About methyl (2R)-2-[(3,3-difluoro-5-phenyl-2H-furan-2-yl)amino]-3-phenylpropanoate

methyl (2R)-2-[(3,3-difluoro-5-phenyl-2H-furan-2-yl)amino]-3-phenylpropanoate (PubChem CID 164673624) has the molecular formula C20H19F2NO3 and a molecular weight of 359.37 g/mol. Its IUPAC name is methyl (2R)-2-[(3,3-difluoro-5-phenyl-2H-furan-2-yl)amino]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[(3,3-difluoro-5-phenyl-2H-furan-2-yl)amino]-3-phenylpropanoate
PubChem CID164673624
Molecular FormulaC20H19F2NO3
Molecular Weight359.37 g/mol
Exact Mass359.13
IUPAC Namemethyl (2R)-2-[(3,3-difluoro-5-phenyl-2H-furan-2-yl)amino]-3-phenylpropanoate
SMILESCOC(=O)[C@@H](Cc1ccccc1)NC1OC(c2ccccc2)=CC1(F)F
InChIInChI=1S/C20H19F2NO3/c1-25-18(24)16(12-14-8-4-2-5-9-14)23-19-20(21,22)13-17(26-19)15-10-6-3-7-11-15/h2-11,13,16,19,23H,12H2,1H3/t16-,19?/m1/s1
InChIKeyGAFRGBCPOKWKHN-VTBWFHPJSA-N
XLogP3.39
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.37
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Benfluorex
CID 2318
Benfluorex hydrochloride
CID 198015
Mdl 201053
CID 122019
Benzyloxycarbonyl-L-phenylalanine
CID 70878
N-benzyloxycarbonyl-DL-3-phenylalanine
CID 100081
N-(Benzyloxycarbonyl)-D-phenylalanine
CID 675678
Z-FA-Fmk
CID 5311161
Benfluorex, (S)-
CID 6604374
Ethyl ((2-(((benzyloxy)carbonyl)amino)-3-phenylpropanoyl)amino)acetate
CID 381816
Ethyl ((benzyloxy)carbonyl)-L-phenylalanylglycinate
CID 12628842
Alanine, N-benzyloxycarbonyl-3-phenyl-, cyanomethyl ester, L-
CID 24313
N-((Phenylmethoxy)carbonyl)-L-phenylalanine ethyl ester
CID 34309

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(3,3-difluoro-5-phenyl-2H-furan-2-yl)amino]-3-phenylpropanoate?
The IUPAC name of methyl (2R)-2-[(3,3-difluoro-5-phenyl-2H-furan-2-yl)amino]-3-phenylpropanoate (CID 164673624) is methyl (2R)-2-[(3,3-difluoro-5-phenyl-2H-furan-2-yl)amino]-3-phenylpropanoate.
What is the SMILES notation for methyl (2R)-2-[(3,3-difluoro-5-phenyl-2H-furan-2-yl)amino]-3-phenylpropanoate?
The canonical SMILES for methyl (2R)-2-[(3,3-difluoro-5-phenyl-2H-furan-2-yl)amino]-3-phenylpropanoate is COC(=O)[C@@H](Cc1ccccc1)NC1OC(c2ccccc2)=CC1(F)F.
What is the InChIKey of methyl (2R)-2-[(3,3-difluoro-5-phenyl-2H-furan-2-yl)amino]-3-phenylpropanoate?
The InChIKey is GAFRGBCPOKWKHN-VTBWFHPJSA-N. The full InChI is InChI=1S/C20H19F2NO3/c1-25-18(24)16(12-14-8-4-2-5-9-14)23-19-20(21,22)13-17(26-19)15-10-6-3-7-11-15/h2-11,13,16,19,23H,12H2,1H3/t16-,19?/m1/s1.
What are the key properties of methyl (2R)-2-[(3,3-difluoro-5-phenyl-2H-furan-2-yl)amino]-3-phenylpropanoate?
methyl (2R)-2-[(3,3-difluoro-5-phenyl-2H-furan-2-yl)amino]-3-phenylpropanoate has a molecular weight of 359.37 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(3,3-difluoro-5-phenyl-2H-furan-2-yl)amino]-3-phenylpropanoate is sourced from PubChem (CID 164673624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).