1-tert-butyl-N-(4-fluoro-3-methylphenyl)-5-methylpyrrolidine-3-carboxamide

C17H25FN2O — CID 118038486

IUPAC1-tert-butyl-N-(4-fluoro-3-methylphenyl)-5-methylpyrrolidine-3-carboxamide
SMILESCc1cc(NC(=O)C2CC(C)N(C(C)(C)C)C2)ccc1F
InChIInChI=1S/C17H25FN2O/c1-11-8-14(6-7-15(11)18)19-16(21)13-9-12(2)20(10-13)17(3,4)5/h6-8,12-13H,9-10H2,1-5H3,(H,19,21)
InChIKeyJNEAFOPVYMRVCU-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.58
Rot. Bonds2

About 1-tert-butyl-N-(4-fluoro-3-methylphenyl)-5-methylpyrrolidine-3-carboxamide

1-tert-butyl-N-(4-fluoro-3-methylphenyl)-5-methylpyrrolidine-3-carboxamide (PubChem CID 118038486) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is 1-tert-butyl-N-(4-fluoro-3-methylphenyl)-5-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-(4-fluoro-3-methylphenyl)-5-methylpyrrolidine-3-carboxamide
PubChem CID118038486
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name1-tert-butyl-N-(4-fluoro-3-methylphenyl)-5-methylpyrrolidine-3-carboxamide
SMILESCc1cc(NC(=O)C2CC(C)N(C(C)(C)C)C2)ccc1F
InChIInChI=1S/C17H25FN2O/c1-11-8-14(6-7-15(11)18)19-16(21)13-9-12(2)20(10-13)17(3,4)5/h6-8,12-13H,9-10H2,1-5H3,(H,19,21)
InChIKeyJNEAFOPVYMRVCU-UHFFFAOYSA-N
XLogP3.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,4S)-N-(4-fluoro-3-methylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620325
tert-butyl 3-[(4-fluoro-3-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 122513398
(3S)-N-(4-fluoro-3-methylphenyl)-1-(2-hydroxycyclohexyl)sulfonylpyrrolidine-3-carboxamide
CID 86301719
N-(4-fluoro-3-methylphenyl)-2,2-dimethylpropanamide
CID 63235993
(3S)-1-cyclopentylsulfonyl-N-(4-fluoro-3-methylphenyl)pyrrolidine-3-carboxamide
CID 118877225
1-acetyl-N-(3-fluoro-4-methylphenyl)azetidine-3-carboxamide
CID 90511941
N-(3-tert-butyl-4-methylphenyl)-1,2-dimethylpiperidine-4-carboxamide
CID 170148773
2-amino-2-cyclopropyl-N-(4-fluoro-3-methylphenyl)propanamide
CID 55118792
N-(4-fluoro-3-methylphenyl)-2-oxoacetamide
CID 115165884
1-[(4-fluoro-3-methylphenyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63721839
(3S)-N-(4-fluoro-3-methylphenyl)-1-[2-[[(E)-1-hydroxyprop-1-en-2-yl]amino]-2-oxoacetyl]pyrrolidine-3-carboxamide
CID 129208964
1-[2-[[(2R)-butan-2-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)pyrrolidine-3-carboxamide
CID 122535382

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-(4-fluoro-3-methylphenyl)-5-methylpyrrolidine-3-carboxamide?
The IUPAC name of 1-tert-butyl-N-(4-fluoro-3-methylphenyl)-5-methylpyrrolidine-3-carboxamide (CID 118038486) is 1-tert-butyl-N-(4-fluoro-3-methylphenyl)-5-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-(4-fluoro-3-methylphenyl)-5-methylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-tert-butyl-N-(4-fluoro-3-methylphenyl)-5-methylpyrrolidine-3-carboxamide is Cc1cc(NC(=O)C2CC(C)N(C(C)(C)C)C2)ccc1F.
What is the InChIKey of 1-tert-butyl-N-(4-fluoro-3-methylphenyl)-5-methylpyrrolidine-3-carboxamide?
The InChIKey is JNEAFOPVYMRVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-11-8-14(6-7-15(11)18)19-16(21)13-9-12(2)20(10-13)17(3,4)5/h6-8,12-13H,9-10H2,1-5H3,(H,19,21).
What are the key properties of 1-tert-butyl-N-(4-fluoro-3-methylphenyl)-5-methylpyrrolidine-3-carboxamide?
1-tert-butyl-N-(4-fluoro-3-methylphenyl)-5-methylpyrrolidine-3-carboxamide has a molecular weight of 292.40 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-(4-fluoro-3-methylphenyl)-5-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 118038486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).