2-ethyl-2-[(2R,5S)-5-(3-fluorophenyl)pyrrolidin-2-yl]-N,N-dimethylbutanamide

C18H27FN2O — CID 138716656

IUPAC2-ethyl-2-[(2R,5S)-5-(3-fluorophenyl)pyrrolidin-2-yl]-N,N-dimethylbutanamide
SMILESCCC(CC)(C(=O)N(C)C)[C@H]1CC[C@@H](c2cccc(F)c2)N1
InChIInChI=1S/C18H27FN2O/c1-5-18(6-2,17(22)21(3)4)16-11-10-15(20-16)13-8-7-9-14(19)12-13/h7-9,12,15-16,20H,5-6,10-11H2,1-4H3/t15-,16+/m0/s1
InChIKeyVMHWYJMUWMJTGQ-JKSUJKDBSA-N
MW306.43 g/mol
LogP3.51
Rot. Bonds5

About 2-ethyl-2-[(2R,5S)-5-(3-fluorophenyl)pyrrolidin-2-yl]-N,N-dimethylbutanamide

2-ethyl-2-[(2R,5S)-5-(3-fluorophenyl)pyrrolidin-2-yl]-N,N-dimethylbutanamide (PubChem CID 138716656) has the molecular formula C18H27FN2O and a molecular weight of 306.43 g/mol. Its IUPAC name is 2-ethyl-2-[(2R,5S)-5-(3-fluorophenyl)pyrrolidin-2-yl]-N,N-dimethylbutanamide.

Molecular Properties

Compound Name2-ethyl-2-[(2R,5S)-5-(3-fluorophenyl)pyrrolidin-2-yl]-N,N-dimethylbutanamide
PubChem CID138716656
Molecular FormulaC18H27FN2O
Molecular Weight306.43 g/mol
Exact Mass306.21
IUPAC Name2-ethyl-2-[(2R,5S)-5-(3-fluorophenyl)pyrrolidin-2-yl]-N,N-dimethylbutanamide
SMILESCCC(CC)(C(=O)N(C)C)[C@H]1CC[C@@H](c2cccc(F)c2)N1
InChIInChI=1S/C18H27FN2O/c1-5-18(6-2,17(22)21(3)4)16-11-10-15(20-16)13-8-7-9-14(19)12-13/h7-9,12,15-16,20H,5-6,10-11H2,1-4H3/t15-,16+/m0/s1
InChIKeyVMHWYJMUWMJTGQ-JKSUJKDBSA-N
XLogP3.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-ethyl-2-[(2R,5S)-5-(3-fluorophenyl)pyrrolidin-2-yl]-N,N-dimethylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,5R)-2-(3-fluorophenyl)-5-(trifluoromethyl)pyrrolidine
CID 138487672
4-[(5S)-5-(3-fluorophenyl)pyrrolidin-2-yl]-4-methylpentan-1-ol
CID 155132828
ethyl (2R,5S)-5-(3-fluorophenyl)pyrrolidine-2-carboxylate
CID 131887910
2-ethyl-2-[(2R,5S)-5-[3-fluoro-5-(trifluoromethyl)phenyl]pyrrolidin-2-yl]butanoic acid
CID 138716275
2-(3-fluorophenyl)-5-(2,2,2-trifluoroethyl)pyrrolidine
CID 138494273
(2S,5R)-2-(3-fluorophenyl)-5-(2,2,2-trifluoroethyl)pyrrolidine
CID 134199954
2,2,2-trifluoro-N-[(2S,4R)-2-(3-fluorophenyl)piperidin-4-yl]-N-methylacetamide;hydrochloride
CID 165142036
methyl (2R,6S)-6-(3-fluorophenyl)piperidine-2-carboxylate
CID 24770518
methyl 6-(3-fluorophenyl)piperidine-2-carboxylate
CID 117168179
(2S,5S)-2-ethyl-5-(3-fluorophenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid
CID 138487467
methyl 4-(3-fluorophenyl)azetidine-2-carboxylate
CID 105462660
2,6-bis(3-fluorophenyl)piperidin-4-one
CID 91540482

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(2R,5S)-5-(3-fluorophenyl)pyrrolidin-2-yl]-N,N-dimethylbutanamide?
The IUPAC name of 2-ethyl-2-[(2R,5S)-5-(3-fluorophenyl)pyrrolidin-2-yl]-N,N-dimethylbutanamide (CID 138716656) is 2-ethyl-2-[(2R,5S)-5-(3-fluorophenyl)pyrrolidin-2-yl]-N,N-dimethylbutanamide.
What is the SMILES notation for 2-ethyl-2-[(2R,5S)-5-(3-fluorophenyl)pyrrolidin-2-yl]-N,N-dimethylbutanamide?
The canonical SMILES for 2-ethyl-2-[(2R,5S)-5-(3-fluorophenyl)pyrrolidin-2-yl]-N,N-dimethylbutanamide is CCC(CC)(C(=O)N(C)C)[C@H]1CC[C@@H](c2cccc(F)c2)N1.
What is the InChIKey of 2-ethyl-2-[(2R,5S)-5-(3-fluorophenyl)pyrrolidin-2-yl]-N,N-dimethylbutanamide?
The InChIKey is VMHWYJMUWMJTGQ-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H27FN2O/c1-5-18(6-2,17(22)21(3)4)16-11-10-15(20-16)13-8-7-9-14(19)12-13/h7-9,12,15-16,20H,5-6,10-11H2,1-4H3/t15-,16+/m0/s1.
What are the key properties of 2-ethyl-2-[(2R,5S)-5-(3-fluorophenyl)pyrrolidin-2-yl]-N,N-dimethylbutanamide?
2-ethyl-2-[(2R,5S)-5-(3-fluorophenyl)pyrrolidin-2-yl]-N,N-dimethylbutanamide has a molecular weight of 306.43 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(2R,5S)-5-(3-fluorophenyl)pyrrolidin-2-yl]-N,N-dimethylbutanamide is sourced from PubChem (CID 138716656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).