N-[3-(dimethylamino)-3-oxopropyl]-2-(2-fluorophenyl)-4-methylpyrrolidine-1-carboxamide

C17H24FN3O2 — CID 71868535

IUPACN-[3-(dimethylamino)-3-oxopropyl]-2-(2-fluorophenyl)-4-methylpyrrolidine-1-carboxamide
SMILESCC1CC(c2ccccc2F)N(C(=O)NCCC(=O)N(C)C)C1
InChIInChI=1S/C17H24FN3O2/c1-12-10-15(13-6-4-5-7-14(13)18)21(11-12)17(23)19-9-8-16(22)20(2)3/h4-7,12,15H,8-11H2,1-3H3,(H,19,23)
InChIKeyMMPPABAEYFMHHT-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.40
Rot. Bonds4

About N-[3-(dimethylamino)-3-oxopropyl]-2-(2-fluorophenyl)-4-methylpyrrolidine-1-carboxamide

N-[3-(dimethylamino)-3-oxopropyl]-2-(2-fluorophenyl)-4-methylpyrrolidine-1-carboxamide (PubChem CID 71868535) has the molecular formula C17H24FN3O2 and a molecular weight of 321.40 g/mol. Its IUPAC name is N-[3-(dimethylamino)-3-oxopropyl]-2-(2-fluorophenyl)-4-methylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-3-oxopropyl]-2-(2-fluorophenyl)-4-methylpyrrolidine-1-carboxamide
PubChem CID71868535
Molecular FormulaC17H24FN3O2
Molecular Weight321.40 g/mol
Exact Mass321.19
IUPAC NameN-[3-(dimethylamino)-3-oxopropyl]-2-(2-fluorophenyl)-4-methylpyrrolidine-1-carboxamide
SMILESCC1CC(c2ccccc2F)N(C(=O)NCCC(=O)N(C)C)C1
InChIInChI=1S/C17H24FN3O2/c1-12-10-15(13-6-4-5-7-14(13)18)21(11-12)17(23)19-9-8-16(22)20(2)3/h4-7,12,15H,8-11H2,1-3H3,(H,19,23)
InChIKeyMMPPABAEYFMHHT-UHFFFAOYSA-N
XLogP2.40
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(3-aminopropyl)-4-(2,5-difluorophenyl)-N-methyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide
CID 24901492
1-cyclopentyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 16307848
3-[2-(2-cyano-(S)-pyrrolidin-1-yl)-2-oxoethylamino]-N-(2-methyl-1-phenylpropyl)propionamide
CID 11703158
(5R)-1-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]-5-methylimidazolidin-4-one
CID 23646442
3-amino-1-[(2S)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl]-2,2-dimethylpropan-1-one
CID 24901493
N-benzyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 3239373
(3R,4S)-N3-(3,5-bis(trifluoromethyl)benzyl)-N1-cyclohexyl-N3-methyl-4-phenylpyrrolidine-1,3-dicarboxamide
CID 44433787
1-N-benzyl-4-N-cyclopentylpiperidine-1,4-dicarboxamide
CID 3222727
1-N-benzyl-3-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 3222825
N-benzyl-1-cycloheptyl-5-oxopyrrolidine-3-carboxamide
CID 3663590
N-cyclopentyl-2-[3-(2-fluorobenzyl)-2-oxoimidazolidin-1-yl]acetamide
CID 4204383
N-cyclopentyl-2-[3-(4-fluorobenzyl)-2-oxoimidazolidin-1-yl]acetamide
CID 4205522

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-3-oxopropyl]-2-(2-fluorophenyl)-4-methylpyrrolidine-1-carboxamide?
The IUPAC name of N-[3-(dimethylamino)-3-oxopropyl]-2-(2-fluorophenyl)-4-methylpyrrolidine-1-carboxamide (CID 71868535) is N-[3-(dimethylamino)-3-oxopropyl]-2-(2-fluorophenyl)-4-methylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)-3-oxopropyl]-2-(2-fluorophenyl)-4-methylpyrrolidine-1-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)-3-oxopropyl]-2-(2-fluorophenyl)-4-methylpyrrolidine-1-carboxamide is CC1CC(c2ccccc2F)N(C(=O)NCCC(=O)N(C)C)C1.
What is the InChIKey of N-[3-(dimethylamino)-3-oxopropyl]-2-(2-fluorophenyl)-4-methylpyrrolidine-1-carboxamide?
The InChIKey is MMPPABAEYFMHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O2/c1-12-10-15(13-6-4-5-7-14(13)18)21(11-12)17(23)19-9-8-16(22)20(2)3/h4-7,12,15H,8-11H2,1-3H3,(H,19,23).
What are the key properties of N-[3-(dimethylamino)-3-oxopropyl]-2-(2-fluorophenyl)-4-methylpyrrolidine-1-carboxamide?
N-[3-(dimethylamino)-3-oxopropyl]-2-(2-fluorophenyl)-4-methylpyrrolidine-1-carboxamide has a molecular weight of 321.40 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-3-oxopropyl]-2-(2-fluorophenyl)-4-methylpyrrolidine-1-carboxamide is sourced from PubChem (CID 71868535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).