3-(3-fluorophenyl)-2-methyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]propanamide

C22H27FN2O — CID 48862621

IUPAC3-(3-fluorophenyl)-2-methyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]propanamide
SMILESCC(Cc1cccc(F)c1)C(=O)NC1CCN(C(C)c2ccccc2)C1
InChIInChI=1S/C22H27FN2O/c1-16(13-18-7-6-10-20(23)14-18)22(26)24-21-11-12-25(15-21)17(2)19-8-4-3-5-9-19/h3-10,14,16-17,21H,11-13,15H2,1-2H3,(H,24,26)
InChIKeyFXWTUESRKAFWFT-UHFFFAOYSA-N
MW354.47 g/mol
LogP3.96
Rot. Bonds6

About 3-(3-fluorophenyl)-2-methyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]propanamide

3-(3-fluorophenyl)-2-methyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]propanamide (PubChem CID 48862621) has the molecular formula C22H27FN2O and a molecular weight of 354.47 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-2-methyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-2-methyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]propanamide
PubChem CID48862621
Molecular FormulaC22H27FN2O
Molecular Weight354.47 g/mol
Exact Mass354.21
IUPAC Name3-(3-fluorophenyl)-2-methyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]propanamide
SMILESCC(Cc1cccc(F)c1)C(=O)NC1CCN(C(C)c2ccccc2)C1
InChIInChI=1S/C22H27FN2O/c1-16(13-18-7-6-10-20(23)14-18)22(26)24-21-11-12-25(15-21)17(2)19-8-4-3-5-9-19/h3-10,14,16-17,21H,11-13,15H2,1-2H3,(H,24,26)
InChIKeyFXWTUESRKAFWFT-UHFFFAOYSA-N
XLogP3.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-fluorophenyl)-2-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119452340
2-methyl-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 94197653
2-methyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]propanamide
CID 47070507
N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 98726634
(3R)-1-[(1S)-1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 124677617
1-[1-(3-fluorophenyl)propan-2-yl]pyrrolidine-3-carboxylic acid
CID 114834766
2-[[1-(1-phenylethyl)pyrrolidin-3-yl]amino]pentanoic acid
CID 122039894
3,5-dimethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]piperidine-1-carboxamide
CID 60569671
1-cyclopropyl-3-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]thiourea
CID 98760713
3-acetamido-N-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 100840976
1-oxido-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]pyridin-1-ium-2-carboxamide
CID 95094293
N-[1-[1-(3-aminophenyl)ethyl]pyrrolidin-3-yl]acetamide
CID 113402120

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-2-methyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]propanamide?
The IUPAC name of 3-(3-fluorophenyl)-2-methyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]propanamide (CID 48862621) is 3-(3-fluorophenyl)-2-methyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]propanamide.
What is the SMILES notation for 3-(3-fluorophenyl)-2-methyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]propanamide?
The canonical SMILES for 3-(3-fluorophenyl)-2-methyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]propanamide is CC(Cc1cccc(F)c1)C(=O)NC1CCN(C(C)c2ccccc2)C1.
What is the InChIKey of 3-(3-fluorophenyl)-2-methyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]propanamide?
The InChIKey is FXWTUESRKAFWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O/c1-16(13-18-7-6-10-20(23)14-18)22(26)24-21-11-12-25(15-21)17(2)19-8-4-3-5-9-19/h3-10,14,16-17,21H,11-13,15H2,1-2H3,(H,24,26).
What are the key properties of 3-(3-fluorophenyl)-2-methyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]propanamide?
3-(3-fluorophenyl)-2-methyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]propanamide has a molecular weight of 354.47 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-2-methyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]propanamide is sourced from PubChem (CID 48862621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).