N-[[1-(2,4-difluorophenyl)-2-methylcyclopropyl]methyl]oxolane-2-carboxamide

C16H19F2NO2 — CID 84579553

IUPACN-[[1-(2,4-difluorophenyl)-2-methylcyclopropyl]methyl]oxolane-2-carboxamide
SMILESCC1CC1(CNC(=O)C1CCCO1)c1ccc(F)cc1F
InChIInChI=1S/C16H19F2NO2/c1-10-8-16(10,12-5-4-11(17)7-13(12)18)9-19-15(20)14-3-2-6-21-14/h4-5,7,10,14H,2-3,6,8-9H2,1H3,(H,19,20)
InChIKeyLMEFMXLASMVOHO-UHFFFAOYSA-N
MW295.33 g/mol
LogP2.54
Rot. Bonds4

About N-[[1-(2,4-difluorophenyl)-2-methylcyclopropyl]methyl]oxolane-2-carboxamide

N-[[1-(2,4-difluorophenyl)-2-methylcyclopropyl]methyl]oxolane-2-carboxamide (PubChem CID 84579553) has the molecular formula C16H19F2NO2 and a molecular weight of 295.33 g/mol. Its IUPAC name is N-[[1-(2,4-difluorophenyl)-2-methylcyclopropyl]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(2,4-difluorophenyl)-2-methylcyclopropyl]methyl]oxolane-2-carboxamide
PubChem CID84579553
Molecular FormulaC16H19F2NO2
Molecular Weight295.33 g/mol
Exact Mass295.14
IUPAC NameN-[[1-(2,4-difluorophenyl)-2-methylcyclopropyl]methyl]oxolane-2-carboxamide
SMILESCC1CC1(CNC(=O)C1CCCO1)c1ccc(F)cc1F
InChIInChI=1S/C16H19F2NO2/c1-10-8-16(10,12-5-4-11(17)7-13(12)18)9-19-15(20)14-3-2-6-21-14/h4-5,7,10,14H,2-3,6,8-9H2,1H3,(H,19,20)
InChIKeyLMEFMXLASMVOHO-UHFFFAOYSA-N
XLogP2.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,4-difluorophenyl)-2-methylcyclopropyl]methyl]oxolane-2-carboxamide?
The IUPAC name of N-[[1-(2,4-difluorophenyl)-2-methylcyclopropyl]methyl]oxolane-2-carboxamide (CID 84579553) is N-[[1-(2,4-difluorophenyl)-2-methylcyclopropyl]methyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[[1-(2,4-difluorophenyl)-2-methylcyclopropyl]methyl]oxolane-2-carboxamide?
The canonical SMILES for N-[[1-(2,4-difluorophenyl)-2-methylcyclopropyl]methyl]oxolane-2-carboxamide is CC1CC1(CNC(=O)C1CCCO1)c1ccc(F)cc1F.
What is the InChIKey of N-[[1-(2,4-difluorophenyl)-2-methylcyclopropyl]methyl]oxolane-2-carboxamide?
The InChIKey is LMEFMXLASMVOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2NO2/c1-10-8-16(10,12-5-4-11(17)7-13(12)18)9-19-15(20)14-3-2-6-21-14/h4-5,7,10,14H,2-3,6,8-9H2,1H3,(H,19,20).
What are the key properties of N-[[1-(2,4-difluorophenyl)-2-methylcyclopropyl]methyl]oxolane-2-carboxamide?
N-[[1-(2,4-difluorophenyl)-2-methylcyclopropyl]methyl]oxolane-2-carboxamide has a molecular weight of 295.33 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,4-difluorophenyl)-2-methylcyclopropyl]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 84579553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).