2-(3-chlorophenyl)-N-[(3S,4R)-4-(4-fluorophenyl)pyrrolidin-3-yl]-N,2-dimethylpropanamide

C21H24ClFN2O — CID 59840136

IUPAC2-(3-chlorophenyl)-N-[(3S,4R)-4-(4-fluorophenyl)pyrrolidin-3-yl]-N,2-dimethylpropanamide
SMILESCN(C(=O)C(C)(C)c1cccc(Cl)c1)[C@@H]1CNC[C@H]1c1ccc(F)cc1
InChIInChI=1S/C21H24ClFN2O/c1-21(2,15-5-4-6-16(22)11-15)20(26)25(3)19-13-24-12-18(19)14-7-9-17(23)10-8-14/h4-11,18-19,24H,12-13H2,1-3H3/t18-,19+/m0/s1
InChIKeyBWVBECDVBPKYOS-RBUKOAKNSA-N
MW374.89 g/mol
LogP3.97
Rot. Bonds4

About 2-(3-chlorophenyl)-N-[(3S,4R)-4-(4-fluorophenyl)pyrrolidin-3-yl]-N,2-dimethylpropanamide

2-(3-chlorophenyl)-N-[(3S,4R)-4-(4-fluorophenyl)pyrrolidin-3-yl]-N,2-dimethylpropanamide (PubChem CID 59840136) has the molecular formula C21H24ClFN2O and a molecular weight of 374.89 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[(3S,4R)-4-(4-fluorophenyl)pyrrolidin-3-yl]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[(3S,4R)-4-(4-fluorophenyl)pyrrolidin-3-yl]-N,2-dimethylpropanamide
PubChem CID59840136
Molecular FormulaC21H24ClFN2O
Molecular Weight374.89 g/mol
Exact Mass374.16
IUPAC Name2-(3-chlorophenyl)-N-[(3S,4R)-4-(4-fluorophenyl)pyrrolidin-3-yl]-N,2-dimethylpropanamide
SMILESCN(C(=O)C(C)(C)c1cccc(Cl)c1)[C@@H]1CNC[C@H]1c1ccc(F)cc1
InChIInChI=1S/C21H24ClFN2O/c1-21(2,15-5-4-6-16(22)11-15)20(26)25(3)19-13-24-12-18(19)14-7-9-17(23)10-8-14/h4-11,18-19,24H,12-13H2,1-3H3/t18-,19+/m0/s1
InChIKeyBWVBECDVBPKYOS-RBUKOAKNSA-N
XLogP3.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.89
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[(3S,4R)-4-(4-fluorophenyl)pyrrolidin-3-yl]-N,2-dimethylpropanamide?
The IUPAC name of 2-(3-chlorophenyl)-N-[(3S,4R)-4-(4-fluorophenyl)pyrrolidin-3-yl]-N,2-dimethylpropanamide (CID 59840136) is 2-(3-chlorophenyl)-N-[(3S,4R)-4-(4-fluorophenyl)pyrrolidin-3-yl]-N,2-dimethylpropanamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[(3S,4R)-4-(4-fluorophenyl)pyrrolidin-3-yl]-N,2-dimethylpropanamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-[(3S,4R)-4-(4-fluorophenyl)pyrrolidin-3-yl]-N,2-dimethylpropanamide is CN(C(=O)C(C)(C)c1cccc(Cl)c1)[C@@H]1CNC[C@H]1c1ccc(F)cc1.
What is the InChIKey of 2-(3-chlorophenyl)-N-[(3S,4R)-4-(4-fluorophenyl)pyrrolidin-3-yl]-N,2-dimethylpropanamide?
The InChIKey is BWVBECDVBPKYOS-RBUKOAKNSA-N. The full InChI is InChI=1S/C21H24ClFN2O/c1-21(2,15-5-4-6-16(22)11-15)20(26)25(3)19-13-24-12-18(19)14-7-9-17(23)10-8-14/h4-11,18-19,24H,12-13H2,1-3H3/t18-,19+/m0/s1.
What are the key properties of 2-(3-chlorophenyl)-N-[(3S,4R)-4-(4-fluorophenyl)pyrrolidin-3-yl]-N,2-dimethylpropanamide?
2-(3-chlorophenyl)-N-[(3S,4R)-4-(4-fluorophenyl)pyrrolidin-3-yl]-N,2-dimethylpropanamide has a molecular weight of 374.89 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[(3S,4R)-4-(4-fluorophenyl)pyrrolidin-3-yl]-N,2-dimethylpropanamide is sourced from PubChem (CID 59840136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).