(2S)-1-[3-(4-fluorophenyl)propanoyl]-N,2-dimethylpyrrolidine-2-carboxamide

C16H21FN2O2 — CID 95808703

IUPAC(2S)-1-[3-(4-fluorophenyl)propanoyl]-N,2-dimethylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@]1(C)CCCN1C(=O)CCc1ccc(F)cc1
InChIInChI=1S/C16H21FN2O2/c1-16(15(21)18-2)10-3-11-19(16)14(20)9-6-12-4-7-13(17)8-5-12/h4-5,7-8H,3,6,9-11H2,1-2H3,(H,18,21)/t16-/m0/s1
InChIKeyHWGWXMINAKQOIO-INIZCTEOSA-N
MW292.35 g/mol
LogP1.89
Rot. Bonds4

About (2S)-1-[3-(4-fluorophenyl)propanoyl]-N,2-dimethylpyrrolidine-2-carboxamide

(2S)-1-[3-(4-fluorophenyl)propanoyl]-N,2-dimethylpyrrolidine-2-carboxamide (PubChem CID 95808703) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is (2S)-1-[3-(4-fluorophenyl)propanoyl]-N,2-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[3-(4-fluorophenyl)propanoyl]-N,2-dimethylpyrrolidine-2-carboxamide
PubChem CID95808703
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name(2S)-1-[3-(4-fluorophenyl)propanoyl]-N,2-dimethylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@]1(C)CCCN1C(=O)CCc1ccc(F)cc1
InChIInChI=1S/C16H21FN2O2/c1-16(15(21)18-2)10-3-11-19(16)14(20)9-6-12-4-7-13(17)8-5-12/h4-5,7-8H,3,6,9-11H2,1-2H3,(H,18,21)/t16-/m0/s1
InChIKeyHWGWXMINAKQOIO-INIZCTEOSA-N
XLogP1.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(2,2-dimethylpyrrolidin-1-yl)-3-oxopropyl]benzoic acid
CID 119185565
1-[3-(4-fluorophenyl)propanoyl]-4-methylpiperidine-4-carboxylic acid
CID 63123576
N-cyclopentyl-1-[3-(4-fluorophenyl)propanoyl]-3-methylpiperidine-3-carboxamide
CID 110249120
methyl (3R)-1-[3-(4-fluorophenyl)propanoyl]-3-methylpyrrolidine-3-carboxylate
CID 97022319
1-[2-methyl-2-(methylaminomethyl)pyrrolidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 115270676
4-[3-(2,2-dimethylpyrrolidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 63215148
4-[3-(2,2-dimethylpyrrolidin-1-yl)-3-oxopropyl]benzenesulfonyl chloride
CID 65397426
(5R)-2-[3-(4-fluorophenyl)propanoyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 97156965
4-[3-(4-fluorophenyl)propanoyl]-N-methylpiperazine-1-sulfonamide
CID 110611459
3-(4-fluorophenyl)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)propanamide
CID 110622499
(2S)-1-[3-(4-fluorophenyl)propanoyl]-N-methylpiperazine-2-carboxamide
CID 124968608
3-cyclopentyl-1-[4-[3-(4-fluorophenyl)propanoyl]piperazin-1-yl]propan-1-one
CID 134021012

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[3-(4-fluorophenyl)propanoyl]-N,2-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[3-(4-fluorophenyl)propanoyl]-N,2-dimethylpyrrolidine-2-carboxamide (CID 95808703) is (2S)-1-[3-(4-fluorophenyl)propanoyl]-N,2-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[3-(4-fluorophenyl)propanoyl]-N,2-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[3-(4-fluorophenyl)propanoyl]-N,2-dimethylpyrrolidine-2-carboxamide is CNC(=O)[C@]1(C)CCCN1C(=O)CCc1ccc(F)cc1.
What is the InChIKey of (2S)-1-[3-(4-fluorophenyl)propanoyl]-N,2-dimethylpyrrolidine-2-carboxamide?
The InChIKey is HWGWXMINAKQOIO-INIZCTEOSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-16(15(21)18-2)10-3-11-19(16)14(20)9-6-12-4-7-13(17)8-5-12/h4-5,7-8H,3,6,9-11H2,1-2H3,(H,18,21)/t16-/m0/s1.
What are the key properties of (2S)-1-[3-(4-fluorophenyl)propanoyl]-N,2-dimethylpyrrolidine-2-carboxamide?
(2S)-1-[3-(4-fluorophenyl)propanoyl]-N,2-dimethylpyrrolidine-2-carboxamide has a molecular weight of 292.35 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[3-(4-fluorophenyl)propanoyl]-N,2-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 95808703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).