(3R)-N-[(1S)-1-(2,4-difluorophenyl)butyl]oxolane-3-carboxamide

C15H19F2NO2 — CID 97098048

IUPAC(3R)-N-[(1S)-1-(2,4-difluorophenyl)butyl]oxolane-3-carboxamide
SMILESCCC[C@H](NC(=O)[C@@H]1CCOC1)c1ccc(F)cc1F
InChIInChI=1S/C15H19F2NO2/c1-2-3-14(12-5-4-11(16)8-13(12)17)18-15(19)10-6-7-20-9-10/h4-5,8,10,14H,2-3,6-7,9H2,1H3,(H,18,19)/t10-,14+/m1/s1
InChIKeyVXMLIWDMHDZRCM-YGRLFVJLSA-N
MW283.32 g/mol
LogP2.96
Rot. Bonds5

About (3R)-N-[(1S)-1-(2,4-difluorophenyl)butyl]oxolane-3-carboxamide

(3R)-N-[(1S)-1-(2,4-difluorophenyl)butyl]oxolane-3-carboxamide (PubChem CID 97098048) has the molecular formula C15H19F2NO2 and a molecular weight of 283.32 g/mol. Its IUPAC name is (3R)-N-[(1S)-1-(2,4-difluorophenyl)butyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(1S)-1-(2,4-difluorophenyl)butyl]oxolane-3-carboxamide
PubChem CID97098048
Molecular FormulaC15H19F2NO2
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name(3R)-N-[(1S)-1-(2,4-difluorophenyl)butyl]oxolane-3-carboxamide
SMILESCCC[C@H](NC(=O)[C@@H]1CCOC1)c1ccc(F)cc1F
InChIInChI=1S/C15H19F2NO2/c1-2-3-14(12-5-4-11(16)8-13(12)17)18-15(19)10-6-7-20-9-10/h4-5,8,10,14H,2-3,6-7,9H2,1H3,(H,18,19)/t10-,14+/m1/s1
InChIKeyVXMLIWDMHDZRCM-YGRLFVJLSA-N
XLogP2.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1S)-1-(2,4-difluorophenyl)butyl]oxolane-3-carboxamide?
The IUPAC name of (3R)-N-[(1S)-1-(2,4-difluorophenyl)butyl]oxolane-3-carboxamide (CID 97098048) is (3R)-N-[(1S)-1-(2,4-difluorophenyl)butyl]oxolane-3-carboxamide.
What is the SMILES notation for (3R)-N-[(1S)-1-(2,4-difluorophenyl)butyl]oxolane-3-carboxamide?
The canonical SMILES for (3R)-N-[(1S)-1-(2,4-difluorophenyl)butyl]oxolane-3-carboxamide is CCC[C@H](NC(=O)[C@@H]1CCOC1)c1ccc(F)cc1F.
What is the InChIKey of (3R)-N-[(1S)-1-(2,4-difluorophenyl)butyl]oxolane-3-carboxamide?
The InChIKey is VXMLIWDMHDZRCM-YGRLFVJLSA-N. The full InChI is InChI=1S/C15H19F2NO2/c1-2-3-14(12-5-4-11(16)8-13(12)17)18-15(19)10-6-7-20-9-10/h4-5,8,10,14H,2-3,6-7,9H2,1H3,(H,18,19)/t10-,14+/m1/s1.
What are the key properties of (3R)-N-[(1S)-1-(2,4-difluorophenyl)butyl]oxolane-3-carboxamide?
(3R)-N-[(1S)-1-(2,4-difluorophenyl)butyl]oxolane-3-carboxamide has a molecular weight of 283.32 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1S)-1-(2,4-difluorophenyl)butyl]oxolane-3-carboxamide is sourced from PubChem (CID 97098048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).