3,3-difluoro-N-(5-oxo-1-phenylpyrrolidin-3-yl)pyrrolidine-1-carboxamide

C15H17F2N3O2 — CID 146126205

IUPAC3,3-difluoro-N-(5-oxo-1-phenylpyrrolidin-3-yl)pyrrolidine-1-carboxamide
SMILESO=C(NC1CC(=O)N(c2ccccc2)C1)N1CCC(F)(F)C1
InChIInChI=1S/C15H17F2N3O2/c16-15(17)6-7-19(10-15)14(22)18-11-8-13(21)20(9-11)12-4-2-1-3-5-12/h1-5,11H,6-10H2,(H,18,22)
InChIKeyKIEUBSSZGYVKAG-UHFFFAOYSA-N
MW309.32 g/mol
LogP1.84
Rot. Bonds2

About 3,3-difluoro-N-(5-oxo-1-phenylpyrrolidin-3-yl)pyrrolidine-1-carboxamide

3,3-difluoro-N-(5-oxo-1-phenylpyrrolidin-3-yl)pyrrolidine-1-carboxamide (PubChem CID 146126205) has the molecular formula C15H17F2N3O2 and a molecular weight of 309.32 g/mol. Its IUPAC name is 3,3-difluoro-N-(5-oxo-1-phenylpyrrolidin-3-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3,3-difluoro-N-(5-oxo-1-phenylpyrrolidin-3-yl)pyrrolidine-1-carboxamide
PubChem CID146126205
Molecular FormulaC15H17F2N3O2
Molecular Weight309.32 g/mol
Exact Mass309.13
IUPAC Name3,3-difluoro-N-(5-oxo-1-phenylpyrrolidin-3-yl)pyrrolidine-1-carboxamide
SMILESO=C(NC1CC(=O)N(c2ccccc2)C1)N1CCC(F)(F)C1
InChIInChI=1S/C15H17F2N3O2/c16-15(17)6-7-19(10-15)14(22)18-11-8-13(21)20(9-11)12-4-2-1-3-5-12/h1-5,11H,6-10H2,(H,18,22)
InChIKeyKIEUBSSZGYVKAG-UHFFFAOYSA-N
XLogP1.84
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-oxo-1-phenylpyrrolidin-3-yl)-3-phenylpyrrolidine-1-carboxamide
CID 71882274
1-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]piperidine-1,4-dicarboxamide
CID 7209085
(2R)-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-2-phenylmorpholine-4-carboxamide
CID 97015203
N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 7209012
(2R)-2-methyl-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-1,4-oxazepane-4-carboxamide
CID 124606255
4-(furan-2-carbonyl)-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]piperazine-1-carboxamide
CID 7209011
4-(furan-2-carbonyl)-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]piperazine-1-carboxamide
CID 7209010
(2R)-2-amino-N-(5-oxo-1-phenylpyrrolidin-3-yl)propanamide
CID 119305747
4-(4-methoxyphenyl)-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]piperazine-1-carboxamide
CID 7490013
N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]azepane-1-carboxamide
CID 18564413
1,1-dimethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
CID 18564044
N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]pyrrolidine-1-carboxamide
CID 7546804

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-(5-oxo-1-phenylpyrrolidin-3-yl)pyrrolidine-1-carboxamide?
The IUPAC name of 3,3-difluoro-N-(5-oxo-1-phenylpyrrolidin-3-yl)pyrrolidine-1-carboxamide (CID 146126205) is 3,3-difluoro-N-(5-oxo-1-phenylpyrrolidin-3-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3,3-difluoro-N-(5-oxo-1-phenylpyrrolidin-3-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3,3-difluoro-N-(5-oxo-1-phenylpyrrolidin-3-yl)pyrrolidine-1-carboxamide is O=C(NC1CC(=O)N(c2ccccc2)C1)N1CCC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-N-(5-oxo-1-phenylpyrrolidin-3-yl)pyrrolidine-1-carboxamide?
The InChIKey is KIEUBSSZGYVKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O2/c16-15(17)6-7-19(10-15)14(22)18-11-8-13(21)20(9-11)12-4-2-1-3-5-12/h1-5,11H,6-10H2,(H,18,22).
What are the key properties of 3,3-difluoro-N-(5-oxo-1-phenylpyrrolidin-3-yl)pyrrolidine-1-carboxamide?
3,3-difluoro-N-(5-oxo-1-phenylpyrrolidin-3-yl)pyrrolidine-1-carboxamide has a molecular weight of 309.32 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-(5-oxo-1-phenylpyrrolidin-3-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 146126205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).