N-[(3R)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]-N'-phenyloxamide

C18H17F2N3O2 — CID 95614867

IUPACN-[(3R)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]-N'-phenyloxamide
SMILESO=C(Nc1ccccc1)C(=O)N[C@@H]1CCN(c2ccc(F)cc2F)C1
InChIInChI=1S/C18H17F2N3O2/c19-12-6-7-16(15(20)10-12)23-9-8-14(11-23)22-18(25)17(24)21-13-4-2-1-3-5-13/h1-7,10,14H,8-9,11H2,(H,21,24)(H,22,25)/t14-/m1/s1
InChIKeyOFHMINNFZNEGJY-CQSZACIVSA-N
MW345.35 g/mol
LogP2.30
Rot. Bonds3

About N-[(3R)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]-N'-phenyloxamide

N-[(3R)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]-N'-phenyloxamide (PubChem CID 95614867) has the molecular formula C18H17F2N3O2 and a molecular weight of 345.35 g/mol. Its IUPAC name is N-[(3R)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]-N'-phenyloxamide.

Molecular Properties

Compound NameN-[(3R)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]-N'-phenyloxamide
PubChem CID95614867
Molecular FormulaC18H17F2N3O2
Molecular Weight345.35 g/mol
Exact Mass345.13
IUPAC NameN-[(3R)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]-N'-phenyloxamide
SMILESO=C(Nc1ccccc1)C(=O)N[C@@H]1CCN(c2ccc(F)cc2F)C1
InChIInChI=1S/C18H17F2N3O2/c19-12-6-7-16(15(20)10-12)23-9-8-14(11-23)22-18(25)17(24)21-13-4-2-1-3-5-13/h1-7,10,14H,8-9,11H2,(H,21,24)(H,22,25)/t14-/m1/s1
InChIKeyOFHMINNFZNEGJY-CQSZACIVSA-N
XLogP2.30
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 52.30
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

(2S)-2-[[(3S)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]amino]-2-phenylacetamide
CID 95322499
5-[[(3R)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]amino]-3,3-dimethyl-5-oxopentanoic acid
CID 124682768
N-[(3R)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]pyridine-3-carboxamide
CID 95614562
[1-(2-amino-4-fluorophenyl)pyrrolidin-3-yl]carbamic acid
CID 118296358
N-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-2-hydroxy-3-methylbenzamide
CID 86896565
N-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 56782524
1-(3-benzylsulfonylpropyl)-3-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]urea
CID 86895952
N-[(3S)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]-2-[methyl(propan-2-yl)amino]acetamide
CID 95348554
N-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-5-fluoro-1-benzofuran-2-carboxamide
CID 86967753
1-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-3-[(2-phenyloxan-3-yl)methyl]urea
CID 86896057
(2R)-2-[[1-(2,4-difluorophenyl)piperidin-4-yl]amino]-3-phenylpropanoic acid
CID 122037935
1-[(3R)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]-3-[[(1S,2R)-2-hydroxycyclopentyl]methyl]urea
CID 100859902

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]-N'-phenyloxamide?
The IUPAC name of N-[(3R)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]-N'-phenyloxamide (CID 95614867) is N-[(3R)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]-N'-phenyloxamide.
What is the SMILES notation for N-[(3R)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]-N'-phenyloxamide?
The canonical SMILES for N-[(3R)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]-N'-phenyloxamide is O=C(Nc1ccccc1)C(=O)N[C@@H]1CCN(c2ccc(F)cc2F)C1.
What is the InChIKey of N-[(3R)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]-N'-phenyloxamide?
The InChIKey is OFHMINNFZNEGJY-CQSZACIVSA-N. The full InChI is InChI=1S/C18H17F2N3O2/c19-12-6-7-16(15(20)10-12)23-9-8-14(11-23)22-18(25)17(24)21-13-4-2-1-3-5-13/h1-7,10,14H,8-9,11H2,(H,21,24)(H,22,25)/t14-/m1/s1.
What are the key properties of N-[(3R)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]-N'-phenyloxamide?
N-[(3R)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]-N'-phenyloxamide has a molecular weight of 345.35 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]-N'-phenyloxamide is sourced from PubChem (CID 95614867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).