N-[(3R)-1-cyclopropylpyrrolidin-3-yl]-N'-(2,3-difluorophenyl)oxamide

C15H17F2N3O2 — CID 95635039

IUPACN-[(3R)-1-cyclopropylpyrrolidin-3-yl]-N'-(2,3-difluorophenyl)oxamide
SMILESO=C(Nc1cccc(F)c1F)C(=O)N[C@@H]1CCN(C2CC2)C1
InChIInChI=1S/C15H17F2N3O2/c16-11-2-1-3-12(13(11)17)19-15(22)14(21)18-9-6-7-20(8-9)10-4-5-10/h1-3,9-10H,4-8H2,(H,18,21)(H,19,22)/t9-/m1/s1
InChIKeyCUFKFPWVLRTUEZ-SECBINFHSA-N
MW309.32 g/mol
LogP1.26
Rot. Bonds3

About N-[(3R)-1-cyclopropylpyrrolidin-3-yl]-N'-(2,3-difluorophenyl)oxamide

N-[(3R)-1-cyclopropylpyrrolidin-3-yl]-N'-(2,3-difluorophenyl)oxamide (PubChem CID 95635039) has the molecular formula C15H17F2N3O2 and a molecular weight of 309.32 g/mol. Its IUPAC name is N-[(3R)-1-cyclopropylpyrrolidin-3-yl]-N'-(2,3-difluorophenyl)oxamide.

Molecular Properties

Compound NameN-[(3R)-1-cyclopropylpyrrolidin-3-yl]-N'-(2,3-difluorophenyl)oxamide
PubChem CID95635039
Molecular FormulaC15H17F2N3O2
Molecular Weight309.32 g/mol
Exact Mass309.13
IUPAC NameN-[(3R)-1-cyclopropylpyrrolidin-3-yl]-N'-(2,3-difluorophenyl)oxamide
SMILESO=C(Nc1cccc(F)c1F)C(=O)N[C@@H]1CCN(C2CC2)C1
InChIInChI=1S/C15H17F2N3O2/c16-11-2-1-3-12(13(11)17)19-15(22)14(21)18-9-6-7-20(8-9)10-4-5-10/h1-3,9-10H,4-8H2,(H,18,21)(H,19,22)/t9-/m1/s1
InChIKeyCUFKFPWVLRTUEZ-SECBINFHSA-N
XLogP1.26
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-cyclopropylpyrrolidin-3-yl)-2,3-difluorobenzamide
CID 62661461
N-(1-cyclopropylpiperidin-4-yl)-N'-[2-(dimethylamino)phenyl]oxamide
CID 86996824
1-cyclopropyl-N-(2,6-difluorophenyl)pyrrolidin-3-amine
CID 62983179
1-(1-cyclopropylpyrrolidin-3-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 51102219
N'-(3-chlorophenyl)-N-[(3R)-1-cyclopentylpyrrolidin-3-yl]oxamide
CID 95615028
1-(1-cyclopropylpiperidin-4-yl)-3-(2,6-difluorophenyl)urea
CID 86986878
N-(2,3-difluorophenyl)-2-(4-hydroxypiperidin-1-yl)-2-oxoacetamide
CID 47457467
1-(1-cyclopropylpyrrolidin-3-yl)-3-phenylurea
CID 47816038
N-(1-cyclopropylpyrrolidin-3-yl)-3,4-difluorobenzamide
CID 47938545
1-(2,3-difluorophenyl)-3-(1-ethylpiperidin-4-yl)urea
CID 47456871
1-(2,3-difluorophenyl)-3-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]urea
CID 97241131
1-(2,3-difluorophenyl)-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]urea
CID 97241132

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-cyclopropylpyrrolidin-3-yl]-N'-(2,3-difluorophenyl)oxamide?
The IUPAC name of N-[(3R)-1-cyclopropylpyrrolidin-3-yl]-N'-(2,3-difluorophenyl)oxamide (CID 95635039) is N-[(3R)-1-cyclopropylpyrrolidin-3-yl]-N'-(2,3-difluorophenyl)oxamide.
What is the SMILES notation for N-[(3R)-1-cyclopropylpyrrolidin-3-yl]-N'-(2,3-difluorophenyl)oxamide?
The canonical SMILES for N-[(3R)-1-cyclopropylpyrrolidin-3-yl]-N'-(2,3-difluorophenyl)oxamide is O=C(Nc1cccc(F)c1F)C(=O)N[C@@H]1CCN(C2CC2)C1.
What is the InChIKey of N-[(3R)-1-cyclopropylpyrrolidin-3-yl]-N'-(2,3-difluorophenyl)oxamide?
The InChIKey is CUFKFPWVLRTUEZ-SECBINFHSA-N. The full InChI is InChI=1S/C15H17F2N3O2/c16-11-2-1-3-12(13(11)17)19-15(22)14(21)18-9-6-7-20(8-9)10-4-5-10/h1-3,9-10H,4-8H2,(H,18,21)(H,19,22)/t9-/m1/s1.
What are the key properties of N-[(3R)-1-cyclopropylpyrrolidin-3-yl]-N'-(2,3-difluorophenyl)oxamide?
N-[(3R)-1-cyclopropylpyrrolidin-3-yl]-N'-(2,3-difluorophenyl)oxamide has a molecular weight of 309.32 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-cyclopropylpyrrolidin-3-yl]-N'-(2,3-difluorophenyl)oxamide is sourced from PubChem (CID 95635039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).