N-tert-butyl-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

C15H19FN2O2 — CID 46705199

IUPACN-tert-butyl-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)(C)NC(=O)C1CC(=O)N(c2cccc(F)c2)C1
InChIInChI=1S/C15H19FN2O2/c1-15(2,3)17-14(20)10-7-13(19)18(9-10)12-6-4-5-11(16)8-12/h4-6,8,10H,7,9H2,1-3H3,(H,17,20)
InChIKeyBQUIWLZHQPTWKY-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.09
Rot. Bonds2

About N-tert-butyl-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

N-tert-butyl-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 46705199) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is N-tert-butyl-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID46705199
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC NameN-tert-butyl-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)(C)NC(=O)C1CC(=O)N(c2cccc(F)c2)C1
InChIInChI=1S/C15H19FN2O2/c1-15(2,3)17-14(20)10-7-13(19)18(9-10)12-6-4-5-11(16)8-12/h4-6,8,10H,7,9H2,1-3H3,(H,17,20)
InChIKeyBQUIWLZHQPTWKY-UHFFFAOYSA-N
XLogP2.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 6497633
1-(3-fluorophenyl)-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
CID 110465285
(3R)-N-tert-butyl-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7438206
(3S)-1-(3-fluorophenyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 93017520
N-(2,4-dimethoxyphenyl)-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113190182
methyl 2-[[1-(3-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 113190189
ethyl (3S)-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 94075742
N-(3-chloro-4-fluorophenyl)-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113190173
N-tert-butyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 6459120
(3R)-1-(3-fluorophenyl)-5-oxo-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide
CID 51597920
(3R)-1-(3-fluorophenyl)-5-oxo-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide
CID 51597921
1-(3-fluorophenyl)-N-[3-(1-methylpyrazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 91779798

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-tert-butyl-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 46705199) is N-tert-butyl-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-tert-butyl-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is CC(C)(C)NC(=O)C1CC(=O)N(c2cccc(F)c2)C1.
What is the InChIKey of N-tert-butyl-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BQUIWLZHQPTWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-15(2,3)17-14(20)10-7-13(19)18(9-10)12-6-4-5-11(16)8-12/h4-6,8,10H,7,9H2,1-3H3,(H,17,20).
What are the key properties of N-tert-butyl-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
N-tert-butyl-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 278.33 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 46705199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).