2-(2,4-difluorophenyl)-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]cyclopropane-1-carboxamide

C16H20F2N2O3S — CID 71844435

IUPAC2-(2,4-difluorophenyl)-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]cyclopropane-1-carboxamide
SMILESCS(=O)(=O)N1CCC[C@@H]1CNC(=O)C1CC1c1ccc(F)cc1F
InChIInChI=1S/C16H20F2N2O3S/c1-24(22,23)20-6-2-3-11(20)9-19-16(21)14-8-13(14)12-5-4-10(17)7-15(12)18/h4-5,7,11,13-14H,2-3,6,8-9H2,1H3,(H,19,21)/t11-,13?,14?/m1/s1
InChIKeyXYLGRONKQWAZGL-LMWSTFAQSA-N
MW358.41 g/mol
LogP1.61
Rot. Bonds5

About 2-(2,4-difluorophenyl)-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]cyclopropane-1-carboxamide

2-(2,4-difluorophenyl)-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]cyclopropane-1-carboxamide (PubChem CID 71844435) has the molecular formula C16H20F2N2O3S and a molecular weight of 358.41 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]cyclopropane-1-carboxamide
PubChem CID71844435
Molecular FormulaC16H20F2N2O3S
Molecular Weight358.41 g/mol
Exact Mass358.12
IUPAC Name2-(2,4-difluorophenyl)-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]cyclopropane-1-carboxamide
SMILESCS(=O)(=O)N1CCC[C@@H]1CNC(=O)C1CC1c1ccc(F)cc1F
InChIInChI=1S/C16H20F2N2O3S/c1-24(22,23)20-6-2-3-11(20)9-19-16(21)14-8-13(14)12-5-4-10(17)7-15(12)18/h4-5,7,11,13-14H,2-3,6,8-9H2,1H3,(H,19,21)/t11-,13?,14?/m1/s1
InChIKeyXYLGRONKQWAZGL-LMWSTFAQSA-N
XLogP1.61
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(2,4-difluorophenyl)-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]cyclopropane-1-carboxamide (CID 71844435) is 2-(2,4-difluorophenyl)-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2,4-difluorophenyl)-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(2,4-difluorophenyl)-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]cyclopropane-1-carboxamide is CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C1CC1c1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]cyclopropane-1-carboxamide?
The InChIKey is XYLGRONKQWAZGL-LMWSTFAQSA-N. The full InChI is InChI=1S/C16H20F2N2O3S/c1-24(22,23)20-6-2-3-11(20)9-19-16(21)14-8-13(14)12-5-4-10(17)7-15(12)18/h4-5,7,11,13-14H,2-3,6,8-9H2,1H3,(H,19,21)/t11-,13?,14?/m1/s1.
What are the key properties of 2-(2,4-difluorophenyl)-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]cyclopropane-1-carboxamide?
2-(2,4-difluorophenyl)-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]cyclopropane-1-carboxamide has a molecular weight of 358.41 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 71844435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).