N-ethyl-4-[[3-(3-fluorophenyl)benzoyl]amino]-1-methylpyrrolidine-2-carboxamide

C21H24FN3O2 — CID 156607245

IUPACN-ethyl-4-[[3-(3-fluorophenyl)benzoyl]amino]-1-methylpyrrolidine-2-carboxamide
SMILESCCNC(=O)C1CC(NC(=O)c2cccc(-c3cccc(F)c3)c2)CN1C
InChIInChI=1S/C21H24FN3O2/c1-3-23-21(27)19-12-18(13-25(19)2)24-20(26)16-8-4-6-14(10-16)15-7-5-9-17(22)11-15/h4-11,18-19H,3,12-13H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyMDEKPOVEHKYPDC-UHFFFAOYSA-N
MW369.44 g/mol
LogP2.43
Rot. Bonds5

About N-ethyl-4-[[3-(3-fluorophenyl)benzoyl]amino]-1-methylpyrrolidine-2-carboxamide

N-ethyl-4-[[3-(3-fluorophenyl)benzoyl]amino]-1-methylpyrrolidine-2-carboxamide (PubChem CID 156607245) has the molecular formula C21H24FN3O2 and a molecular weight of 369.44 g/mol. Its IUPAC name is N-ethyl-4-[[3-(3-fluorophenyl)benzoyl]amino]-1-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-[[3-(3-fluorophenyl)benzoyl]amino]-1-methylpyrrolidine-2-carboxamide
PubChem CID156607245
Molecular FormulaC21H24FN3O2
Molecular Weight369.44 g/mol
Exact Mass369.19
IUPAC NameN-ethyl-4-[[3-(3-fluorophenyl)benzoyl]amino]-1-methylpyrrolidine-2-carboxamide
SMILESCCNC(=O)C1CC(NC(=O)c2cccc(-c3cccc(F)c3)c2)CN1C
InChIInChI=1S/C21H24FN3O2/c1-3-23-21(27)19-12-18(13-25(19)2)24-20(26)16-8-4-6-14(10-16)15-7-5-9-17(22)11-15/h4-11,18-19H,3,12-13H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyMDEKPOVEHKYPDC-UHFFFAOYSA-N
XLogP2.43
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(ethylcarbamoyl)-1-methylpyrrolidin-3-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
CID 156605916
methyl (2S,4R)-4-[[4-(3-fluorophenyl)benzoyl]amino]-1-[(2-methylphenyl)methyl]pyrrolidine-2-carboxylate
CID 42463304
N-[4-(ethylamino)cyclohexyl]-3-fluorobenzamide
CID 43653350
N-ethyl-1-methyl-4-[[2-[(4-methylphenyl)methyl]benzoyl]amino]pyrrolidine-2-carboxamide
CID 156607252
N-[(3R,5S)-5-(ethylcarbamoyl)-1-[(E)-2-methylbut-2-enyl]pyrrolidin-3-yl]-1H-indole-6-carboxamide
CID 72857859
(2S,4R)-4-[[3-(dimethylamino)benzoyl]amino]-N,N-diethyl-1-methylpyrrolidine-2-carboxamide
CID 72838638
(2S,4S)-N-ethyl-4-[(4-fluoro-3-methoxybenzoyl)amino]-1-(2-methylbut-2-enyl)pyrrolidine-2-carboxamide
CID 91940656
(2S,4R)-N-ethyl-4-[(3-hydroxy-4-methylbenzoyl)amino]-1-(3-methylbut-2-enyl)pyrrolidine-2-carboxamide
CID 72907895
methyl (2S,4R)-4-[[4-(3-fluorophenyl)benzoyl]amino]-1-[(4-methoxy-2,5-dimethylphenyl)methyl]pyrrolidine-2-carboxylate
CID 42381725
N-(1-methyl-5-oxopyrrolidin-3-yl)-3-phenylbenzamide
CID 110736530
(2S,4S)-N-ethyl-4-[(2-phenylbenzoyl)amino]-1-prop-2-enylpyrrolidine-2-carboxamide
CID 72890005
N-(1-ethylsulfonylpiperidin-4-yl)-3-fluorobenzamide
CID 110823002

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[[3-(3-fluorophenyl)benzoyl]amino]-1-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-ethyl-4-[[3-(3-fluorophenyl)benzoyl]amino]-1-methylpyrrolidine-2-carboxamide (CID 156607245) is N-ethyl-4-[[3-(3-fluorophenyl)benzoyl]amino]-1-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-ethyl-4-[[3-(3-fluorophenyl)benzoyl]amino]-1-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-ethyl-4-[[3-(3-fluorophenyl)benzoyl]amino]-1-methylpyrrolidine-2-carboxamide is CCNC(=O)C1CC(NC(=O)c2cccc(-c3cccc(F)c3)c2)CN1C.
What is the InChIKey of N-ethyl-4-[[3-(3-fluorophenyl)benzoyl]amino]-1-methylpyrrolidine-2-carboxamide?
The InChIKey is MDEKPOVEHKYPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O2/c1-3-23-21(27)19-12-18(13-25(19)2)24-20(26)16-8-4-6-14(10-16)15-7-5-9-17(22)11-15/h4-11,18-19H,3,12-13H2,1-2H3,(H,23,27)(H,24,26).
What are the key properties of N-ethyl-4-[[3-(3-fluorophenyl)benzoyl]amino]-1-methylpyrrolidine-2-carboxamide?
N-ethyl-4-[[3-(3-fluorophenyl)benzoyl]amino]-1-methylpyrrolidine-2-carboxamide has a molecular weight of 369.44 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[[3-(3-fluorophenyl)benzoyl]amino]-1-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 156607245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).