(3S)-1-tert-butyl-N-[3-(2-fluorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide

C18H25FN2O2 — CID 97121539

IUPAC(3S)-1-tert-butyl-N-[3-(2-fluorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)(C)N1C[C@@H](C(=O)NCCCc2ccccc2F)CC1=O
InChIInChI=1S/C18H25FN2O2/c1-18(2,3)21-12-14(11-16(21)22)17(23)20-10-6-8-13-7-4-5-9-15(13)19/h4-5,7,9,14H,6,8,10-12H2,1-3H3,(H,20,23)/t14-/m0/s1
InChIKeyZDDVNLTWOGNPOP-AWEZNQCLSA-N
MW320.41 g/mol
LogP2.52
Rot. Bonds5

About (3S)-1-tert-butyl-N-[3-(2-fluorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide

(3S)-1-tert-butyl-N-[3-(2-fluorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 97121539) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is (3S)-1-tert-butyl-N-[3-(2-fluorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-tert-butyl-N-[3-(2-fluorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID97121539
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC Name(3S)-1-tert-butyl-N-[3-(2-fluorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)(C)N1C[C@@H](C(=O)NCCCc2ccccc2F)CC1=O
InChIInChI=1S/C18H25FN2O2/c1-18(2,3)21-12-14(11-16(21)22)17(23)20-10-6-8-13-7-4-5-9-15(13)19/h4-5,7,9,14H,6,8,10-12H2,1-3H3,(H,20,23)/t14-/m0/s1
InChIKeyZDDVNLTWOGNPOP-AWEZNQCLSA-N
XLogP2.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-tert-butyl-N-[2-[(2-fluorobenzoyl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 108538210
1-tert-butyl-N-[3-(4-fluorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 70741168
1-cyclopropyl-N-[3-(2-fluorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 70724457
(3R)-1-cyclopentyl-N-[3-(2-fluorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 97147855
1-tert-butyl-N-[2-(2,3-dichlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 70736946
(3S)-1-tert-butyl-5-oxo-N-(3-pyridin-4-ylpropyl)pyrrolidine-3-carboxamide
CID 97110470
1-tert-butyl-N-[2-[(2,4-difluorobenzoyl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 108572321
N,1-bis[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113184221
1-butan-2-yl-N-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113182117
1-(2,6-dimethylphenyl)-N-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113186219
N-[2-(2-fluorophenyl)ethyl]-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 113182519
1-cyclopentyl-N-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 42916466

Frequently Asked Questions

What is the IUPAC name of (3S)-1-tert-butyl-N-[3-(2-fluorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-tert-butyl-N-[3-(2-fluorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide (CID 97121539) is (3S)-1-tert-butyl-N-[3-(2-fluorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-tert-butyl-N-[3-(2-fluorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-tert-butyl-N-[3-(2-fluorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide is CC(C)(C)N1C[C@@H](C(=O)NCCCc2ccccc2F)CC1=O.
What is the InChIKey of (3S)-1-tert-butyl-N-[3-(2-fluorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ZDDVNLTWOGNPOP-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H25FN2O2/c1-18(2,3)21-12-14(11-16(21)22)17(23)20-10-6-8-13-7-4-5-9-15(13)19/h4-5,7,9,14H,6,8,10-12H2,1-3H3,(H,20,23)/t14-/m0/s1.
What are the key properties of (3S)-1-tert-butyl-N-[3-(2-fluorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide?
(3S)-1-tert-butyl-N-[3-(2-fluorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 320.41 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-tert-butyl-N-[3-(2-fluorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 97121539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).