N-ethyl-1-(2-fluorobenzoyl)-N-methyl-4-phenylpyrrolidine-3-carboxamide

C21H23FN2O2 — CID 42680196

IUPACN-ethyl-1-(2-fluorobenzoyl)-N-methyl-4-phenylpyrrolidine-3-carboxamide
SMILESCCN(C)C(=O)C1CN(C(=O)c2ccccc2F)CC1c1ccccc1
InChIInChI=1S/C21H23FN2O2/c1-3-23(2)20(25)18-14-24(13-17(18)15-9-5-4-6-10-15)21(26)16-11-7-8-12-19(16)22/h4-12,17-18H,3,13-14H2,1-2H3
InChIKeyBOZLIUZKUVNLRQ-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.16
Rot. Bonds4

About N-ethyl-1-(2-fluorobenzoyl)-N-methyl-4-phenylpyrrolidine-3-carboxamide

N-ethyl-1-(2-fluorobenzoyl)-N-methyl-4-phenylpyrrolidine-3-carboxamide (PubChem CID 42680196) has the molecular formula C21H23FN2O2 and a molecular weight of 354.43 g/mol. Its IUPAC name is N-ethyl-1-(2-fluorobenzoyl)-N-methyl-4-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(2-fluorobenzoyl)-N-methyl-4-phenylpyrrolidine-3-carboxamide
PubChem CID42680196
Molecular FormulaC21H23FN2O2
Molecular Weight354.43 g/mol
Exact Mass354.17
IUPAC NameN-ethyl-1-(2-fluorobenzoyl)-N-methyl-4-phenylpyrrolidine-3-carboxamide
SMILESCCN(C)C(=O)C1CN(C(=O)c2ccccc2F)CC1c1ccccc1
InChIInChI=1S/C21H23FN2O2/c1-3-23(2)20(25)18-14-24(13-17(18)15-9-5-4-6-10-15)21(26)16-11-7-8-12-19(16)22/h4-12,17-18H,3,13-14H2,1-2H3
InChIKeyBOZLIUZKUVNLRQ-UHFFFAOYSA-N
XLogP3.16
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-((1-(2-(4-Fluorophenyl)-2-oxoethyl)-4-piperidinyl)methyl)-2,3-dihydro-1H-isoindol-1-one
CID 9799284
N,N,N',N'-Tetraethylphthalamide
CID 66526
Pyrrolidine, 1-(o-benzoylbenzoyl)-
CID 208220
4-Benzyl-1-(3-methylbenzoyl)piperidine
CID 1378917
N-{[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl}benzamide
CID 5494422
N-(4-Methylbenzoyl)-4-benzylpiperidine
CID 1415427
2-Benzylisoindolin-1-one
CID 1485883
2-[2-(4-Fluorophenyl)-2-oxoethyl]isoindole-1,3-dione
CID 2815202
4,5,6,7-tetrafluoro-2-[(1S)-1-phenylethyl]-2,3-dihydro-1H-isoindole-1,3-dione
CID 9883659
N-(3-Phenylallyl)phthalimide
CID 5389074
(4-Benzylpiperidin-1-yl)(2-fluorophenyl)methanone
CID 667749
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methylbenzamide hydrochloride
CID 10019926

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-fluorobenzoyl)-N-methyl-4-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-ethyl-1-(2-fluorobenzoyl)-N-methyl-4-phenylpyrrolidine-3-carboxamide (CID 42680196) is N-ethyl-1-(2-fluorobenzoyl)-N-methyl-4-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-ethyl-1-(2-fluorobenzoyl)-N-methyl-4-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-ethyl-1-(2-fluorobenzoyl)-N-methyl-4-phenylpyrrolidine-3-carboxamide is CCN(C)C(=O)C1CN(C(=O)c2ccccc2F)CC1c1ccccc1.
What is the InChIKey of N-ethyl-1-(2-fluorobenzoyl)-N-methyl-4-phenylpyrrolidine-3-carboxamide?
The InChIKey is BOZLIUZKUVNLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O2/c1-3-23(2)20(25)18-14-24(13-17(18)15-9-5-4-6-10-15)21(26)16-11-7-8-12-19(16)22/h4-12,17-18H,3,13-14H2,1-2H3.
What are the key properties of N-ethyl-1-(2-fluorobenzoyl)-N-methyl-4-phenylpyrrolidine-3-carboxamide?
N-ethyl-1-(2-fluorobenzoyl)-N-methyl-4-phenylpyrrolidine-3-carboxamide has a molecular weight of 354.43 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-fluorobenzoyl)-N-methyl-4-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 42680196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).