N'-(2,5-difluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide

C18H15F2N3O3 — CID 30679468

IUPACN'-(2,5-difluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
SMILESO=C(Nc1cccc(N2CCCC2=O)c1)C(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C18H15F2N3O3/c19-11-6-7-14(20)15(9-11)22-18(26)17(25)21-12-3-1-4-13(10-12)23-8-2-5-16(23)24/h1,3-4,6-7,9-10H,2,5,8H2,(H,21,25)(H,22,26)
InChIKeyPEZYYWDHYRMDPH-UHFFFAOYSA-N
MW359.33 g/mol
LogP2.67
Rot. Bonds3

About N'-(2,5-difluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide

N'-(2,5-difluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide (PubChem CID 30679468) has the molecular formula C18H15F2N3O3 and a molecular weight of 359.33 g/mol. Its IUPAC name is N'-(2,5-difluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide.

Molecular Properties

Compound NameN'-(2,5-difluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
PubChem CID30679468
Molecular FormulaC18H15F2N3O3
Molecular Weight359.33 g/mol
Exact Mass359.11
IUPAC NameN'-(2,5-difluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
SMILESO=C(Nc1cccc(N2CCCC2=O)c1)C(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C18H15F2N3O3/c19-11-6-7-14(20)15(9-11)22-18(26)17(25)21-12-3-1-4-13(10-12)23-8-2-5-16(23)24/h1,3-4,6-7,9-10H,2,5,8H2,(H,21,25)(H,22,26)
InChIKeyPEZYYWDHYRMDPH-UHFFFAOYSA-N
XLogP2.67
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.33
LogP ≤ 52.67
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'-(2,5-difluorophenyl)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 18584453
N'-(3-fluorophenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679220
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 121054613
N'-(5-chloro-2-methoxyphenyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 44901687
N-(4-methylphenyl)-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679439
N'-(2-methylsulfanylphenyl)-N-[3-(2-oxopiperidin-1-yl)phenyl]oxamide
CID 121054638
2-chloro-4-fluoro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 17487375
N'-(2-ethoxyphenyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679480
1-(4-chlorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 7686904
N'-[3-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-propan-2-ylphenyl)oxamide
CID 44901688
1-[(4-fluorophenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 38169682
2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 7686856

Frequently Asked Questions

What is the IUPAC name of N'-(2,5-difluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide?
The IUPAC name of N'-(2,5-difluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide (CID 30679468) is N'-(2,5-difluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide.
What is the SMILES notation for N'-(2,5-difluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide?
The canonical SMILES for N'-(2,5-difluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide is O=C(Nc1cccc(N2CCCC2=O)c1)C(=O)Nc1cc(F)ccc1F.
What is the InChIKey of N'-(2,5-difluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide?
The InChIKey is PEZYYWDHYRMDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O3/c19-11-6-7-14(20)15(9-11)22-18(26)17(25)21-12-3-1-4-13(10-12)23-8-2-5-16(23)24/h1,3-4,6-7,9-10H,2,5,8H2,(H,21,25)(H,22,26).
What are the key properties of N'-(2,5-difluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide?
N'-(2,5-difluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide has a molecular weight of 359.33 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-difluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide is sourced from PubChem (CID 30679468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).