N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-(4-fluorophenyl)propanamide

C17H23FN2O2 — CID 110736931

IUPACN-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-(4-fluorophenyl)propanamide
SMILESCC(C)(C)N1CC(NC(=O)CCc2ccc(F)cc2)CC1=O
InChIInChI=1S/C17H23FN2O2/c1-17(2,3)20-11-14(10-16(20)22)19-15(21)9-6-12-4-7-13(18)8-5-12/h4-5,7-8,14H,6,9-11H2,1-3H3,(H,19,21)
InChIKeyIAXSZFIYIZVHHI-UHFFFAOYSA-N
MW306.38 g/mol
LogP2.27
Rot. Bonds4

About N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-(4-fluorophenyl)propanamide

N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-(4-fluorophenyl)propanamide (PubChem CID 110736931) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-(4-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-(4-fluorophenyl)propanamide
PubChem CID110736931
Molecular FormulaC17H23FN2O2
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC NameN-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-(4-fluorophenyl)propanamide
SMILESCC(C)(C)N1CC(NC(=O)CCc2ccc(F)cc2)CC1=O
InChIInChI=1S/C17H23FN2O2/c1-17(2,3)20-11-14(10-16(20)22)19-15(21)9-6-12-4-7-13(18)8-5-12/h4-5,7-8,14H,6,9-11H2,1-3H3,(H,19,21)
InChIKeyIAXSZFIYIZVHHI-UHFFFAOYSA-N
XLogP2.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-phenylpropanamide
CID 110736896
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(4-fluorophenoxy)acetamide
CID 110736947
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(4-methylphenyl)acetamide
CID 110736936
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)pentanamide
CID 110736860
4-amino-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)butanamide
CID 119343413
4-amino-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)butanamide;hydrochloride
CID 119343412
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(methylamino)acetamide
CID 83632195
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-(4-fluorophenyl)propanamide
CID 110819897
N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2,2-dimethylpropanamide
CID 45181468
1-tert-butyl-N-[3-(4-fluorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 70741168
2-(4-ethylphenyl)-N-[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]acetamide
CID 95723598
1-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-[2-(3-fluorophenyl)ethyl]urea
CID 108876341

Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-(4-fluorophenyl)propanamide?
The IUPAC name of N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-(4-fluorophenyl)propanamide (CID 110736931) is N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-(4-fluorophenyl)propanamide.
What is the SMILES notation for N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-(4-fluorophenyl)propanamide?
The canonical SMILES for N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-(4-fluorophenyl)propanamide is CC(C)(C)N1CC(NC(=O)CCc2ccc(F)cc2)CC1=O.
What is the InChIKey of N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-(4-fluorophenyl)propanamide?
The InChIKey is IAXSZFIYIZVHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O2/c1-17(2,3)20-11-14(10-16(20)22)19-15(21)9-6-12-4-7-13(18)8-5-12/h4-5,7-8,14H,6,9-11H2,1-3H3,(H,19,21).
What are the key properties of N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-(4-fluorophenyl)propanamide?
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-(4-fluorophenyl)propanamide has a molecular weight of 306.38 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-(4-fluorophenyl)propanamide is sourced from PubChem (CID 110736931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).