N-(3,3-difluoro-2-hydroxypropyl)-1-ethyl-5-oxopyrrolidine-3-carboxamide

C10H16F2N2O3 — CID 113258530

IUPACN-(3,3-difluoro-2-hydroxypropyl)-1-ethyl-5-oxopyrrolidine-3-carboxamide
SMILESCCN1CC(C(=O)NCC(O)C(F)F)CC1=O
InChIInChI=1S/C10H16F2N2O3/c1-2-14-5-6(3-8(14)16)10(17)13-4-7(15)9(11)12/h6-7,9,15H,2-5H2,1H3,(H,13,17)
InChIKeyLKYCXIWSCSQERB-UHFFFAOYSA-N
MW250.24 g/mol
LogP-0.40
Rot. Bonds5

About N-(3,3-difluoro-2-hydroxypropyl)-1-ethyl-5-oxopyrrolidine-3-carboxamide

N-(3,3-difluoro-2-hydroxypropyl)-1-ethyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 113258530) has the molecular formula C10H16F2N2O3 and a molecular weight of 250.24 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-1-ethyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-1-ethyl-5-oxopyrrolidine-3-carboxamide
PubChem CID113258530
Molecular FormulaC10H16F2N2O3
Molecular Weight250.24 g/mol
Exact Mass250.11
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-1-ethyl-5-oxopyrrolidine-3-carboxamide
SMILESCCN1CC(C(=O)NCC(O)C(F)F)CC1=O
InChIInChI=1S/C10H16F2N2O3/c1-2-14-5-6(3-8(14)16)10(17)13-4-7(15)9(11)12/h6-7,9,15H,2-5H2,1H3,(H,13,17)
InChIKeyLKYCXIWSCSQERB-UHFFFAOYSA-N
XLogP-0.40
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.24
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclopropyl-2-hydroxyethyl)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 63294241
N-(3-amino-2-hydroxy-3-oxopropyl)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 114152589
N-(2-hydroxy-3-methylbutyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 115744579
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119527204
2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]-2-methylbutanoic acid
CID 79793392
N-(2,3-dihydroxy-2-methylpropyl)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 66171296
(3R)-1-ethyl-5-oxo-N-(2-pyrrol-1-ylethyl)pyrrolidine-3-carboxamide
CID 97206513
(3S)-1-ethyl-5-oxo-N-(2-pyrrol-1-ylethyl)pyrrolidine-3-carboxamide
CID 97206514
(3R)-1-ethyl-N-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 94088856
methyl (3S)-1-ethyl-5-oxopyrrolidine-3-carboxylate
CID 42579819
1-ethyl-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 65119183
(3S)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 40586169

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-1-ethyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-1-ethyl-5-oxopyrrolidine-3-carboxamide (CID 113258530) is N-(3,3-difluoro-2-hydroxypropyl)-1-ethyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-1-ethyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-1-ethyl-5-oxopyrrolidine-3-carboxamide is CCN1CC(C(=O)NCC(O)C(F)F)CC1=O.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-1-ethyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is LKYCXIWSCSQERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2O3/c1-2-14-5-6(3-8(14)16)10(17)13-4-7(15)9(11)12/h6-7,9,15H,2-5H2,1H3,(H,13,17).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-1-ethyl-5-oxopyrrolidine-3-carboxamide?
N-(3,3-difluoro-2-hydroxypropyl)-1-ethyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 250.24 g/mol, XLogP of -0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)-1-ethyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113258530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).