5-[(2S,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]furan-2-carboxamide

C16H14F2N2O4 — CID 100670288

IUPAC5-[(2S,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]furan-2-carboxamide
SMILESNC(=O)c1ccc(C(=O)N2C[C@H](O)C[C@H]2c2cc(F)ccc2F)o1
InChIInChI=1S/C16H14F2N2O4/c17-8-1-2-11(18)10(5-8)12-6-9(21)7-20(12)16(23)14-4-3-13(24-14)15(19)22/h1-5,9,12,21H,6-7H2,(H2,19,22)/t9-,12+/m1/s1
InChIKeyMTUJDAUTEQBPEX-SKDRFNHKSA-N
MW336.29 g/mol
LogP1.60
Rot. Bonds3

About 5-[(2S,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]furan-2-carboxamide

5-[(2S,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]furan-2-carboxamide (PubChem CID 100670288) has the molecular formula C16H14F2N2O4 and a molecular weight of 336.29 g/mol. Its IUPAC name is 5-[(2S,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2S,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]furan-2-carboxamide
PubChem CID100670288
Molecular FormulaC16H14F2N2O4
Molecular Weight336.29 g/mol
Exact Mass336.09
IUPAC Name5-[(2S,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]furan-2-carboxamide
SMILESNC(=O)c1ccc(C(=O)N2C[C@H](O)C[C@H]2c2cc(F)ccc2F)o1
InChIInChI=1S/C16H14F2N2O4/c17-8-1-2-11(18)10(5-8)12-6-9(21)7-20(12)16(23)14-4-3-13(24-14)15(19)22/h1-5,9,12,21H,6-7H2,(H2,19,22)/t9-,12+/m1/s1
InChIKeyMTUJDAUTEQBPEX-SKDRFNHKSA-N
XLogP1.60
TPSA96.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.29
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2S,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]furan-2-carboxamide?
The IUPAC name of 5-[(2S,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]furan-2-carboxamide (CID 100670288) is 5-[(2S,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(2S,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]furan-2-carboxamide?
The canonical SMILES for 5-[(2S,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]furan-2-carboxamide is NC(=O)c1ccc(C(=O)N2C[C@H](O)C[C@H]2c2cc(F)ccc2F)o1.
What is the InChIKey of 5-[(2S,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]furan-2-carboxamide?
The InChIKey is MTUJDAUTEQBPEX-SKDRFNHKSA-N. The full InChI is InChI=1S/C16H14F2N2O4/c17-8-1-2-11(18)10(5-8)12-6-9(21)7-20(12)16(23)14-4-3-13(24-14)15(19)22/h1-5,9,12,21H,6-7H2,(H2,19,22)/t9-,12+/m1/s1.
What are the key properties of 5-[(2S,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]furan-2-carboxamide?
5-[(2S,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]furan-2-carboxamide has a molecular weight of 336.29 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]furan-2-carboxamide is sourced from PubChem (CID 100670288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).