(2R)-N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-hydroxy-2-phenylacetamide

C19H19F2NO3 — CID 97248230

IUPAC(2R)-N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-hydroxy-2-phenylacetamide
SMILESO=C(NC1(c2ccc(F)cc2F)CCOCC1)[C@H](O)c1ccccc1
InChIInChI=1S/C19H19F2NO3/c20-14-6-7-15(16(21)12-14)19(8-10-25-11-9-19)22-18(24)17(23)13-4-2-1-3-5-13/h1-7,12,17,23H,8-11H2,(H,22,24)/t17-/m1/s1
InChIKeyKVMCDLKJMIVNMV-QGZVFWFLSA-N
MW347.36 g/mol
LogP2.82
Rot. Bonds4

About (2R)-N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-hydroxy-2-phenylacetamide

(2R)-N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-hydroxy-2-phenylacetamide (PubChem CID 97248230) has the molecular formula C19H19F2NO3 and a molecular weight of 347.36 g/mol. Its IUPAC name is (2R)-N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-hydroxy-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-hydroxy-2-phenylacetamide
PubChem CID97248230
Molecular FormulaC19H19F2NO3
Molecular Weight347.36 g/mol
Exact Mass347.13
IUPAC Name(2R)-N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-hydroxy-2-phenylacetamide
SMILESO=C(NC1(c2ccc(F)cc2F)CCOCC1)[C@H](O)c1ccccc1
InChIInChI=1S/C19H19F2NO3/c20-14-6-7-15(16(21)12-14)19(8-10-25-11-9-19)22-18(24)17(23)13-4-2-1-3-5-13/h1-7,12,17,23H,8-11H2,(H,22,24)/t17-/m1/s1
InChIKeyKVMCDLKJMIVNMV-QGZVFWFLSA-N
XLogP2.82
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.36
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-hydroxy-2-phenylacetamide?
The IUPAC name of (2R)-N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-hydroxy-2-phenylacetamide (CID 97248230) is (2R)-N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-hydroxy-2-phenylacetamide.
What is the SMILES notation for (2R)-N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-hydroxy-2-phenylacetamide?
The canonical SMILES for (2R)-N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-hydroxy-2-phenylacetamide is O=C(NC1(c2ccc(F)cc2F)CCOCC1)[C@H](O)c1ccccc1.
What is the InChIKey of (2R)-N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-hydroxy-2-phenylacetamide?
The InChIKey is KVMCDLKJMIVNMV-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H19F2NO3/c20-14-6-7-15(16(21)12-14)19(8-10-25-11-9-19)22-18(24)17(23)13-4-2-1-3-5-13/h1-7,12,17,23H,8-11H2,(H,22,24)/t17-/m1/s1.
What are the key properties of (2R)-N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-hydroxy-2-phenylacetamide?
(2R)-N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-hydroxy-2-phenylacetamide has a molecular weight of 347.36 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-hydroxy-2-phenylacetamide is sourced from PubChem (CID 97248230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).