N'-(2,5-difluorophenyl)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide

C19H17F2N3O3 — CID 18584453

IUPACN'-(2,5-difluorophenyl)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
SMILESCc1ccc(NC(=O)C(=O)Nc2cc(F)ccc2F)cc1N1CCCC1=O
InChIInChI=1S/C19H17F2N3O3/c1-11-4-6-13(10-16(11)24-8-2-3-17(24)25)22-18(26)19(27)23-15-9-12(20)5-7-14(15)21/h4-7,9-10H,2-3,8H2,1H3,(H,22,26)(H,23,27)
InChIKeyXIEHJXWLADXQBN-UHFFFAOYSA-N
MW373.36 g/mol
LogP2.98
Rot. Bonds3

About N'-(2,5-difluorophenyl)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide

N'-(2,5-difluorophenyl)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide (PubChem CID 18584453) has the molecular formula C19H17F2N3O3 and a molecular weight of 373.36 g/mol. Its IUPAC name is N'-(2,5-difluorophenyl)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide.

Molecular Properties

Compound NameN'-(2,5-difluorophenyl)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
PubChem CID18584453
Molecular FormulaC19H17F2N3O3
Molecular Weight373.36 g/mol
Exact Mass373.12
IUPAC NameN'-(2,5-difluorophenyl)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
SMILESCc1ccc(NC(=O)C(=O)Nc2cc(F)ccc2F)cc1N1CCCC1=O
InChIInChI=1S/C19H17F2N3O3/c1-11-4-6-13(10-16(11)24-8-2-3-17(24)25)22-18(26)19(27)23-15-9-12(20)5-7-14(15)21/h4-7,9-10H,2-3,8H2,1H3,(H,22,26)(H,23,27)
InChIKeyXIEHJXWLADXQBN-UHFFFAOYSA-N
XLogP2.98
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.36
LogP ≤ 52.98
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-(3-fluorophenyl)-N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679517
N'-(3-fluoro-4-methylphenyl)-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]oxamide
CID 30680066
N-(3-fluorophenyl)-N'-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]oxamide
CID 30680044
N'-(2,5-difluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679468
N-(3,4-dimethylphenyl)-N'-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]oxamide
CID 30680052
N-(3-fluorophenyl)-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679287
N'-(5-chloro-2-methoxyphenyl)-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]oxamide
CID 44901794
3,4-difluoro-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687739
2,2-dimethyl-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]propanamide
CID 7687770
[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]thiourea
CID 169357597
N-(3,4-dimethylphenyl)-N'-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679388
N'-(3,5-dimethylphenyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679282

Frequently Asked Questions

What is the IUPAC name of N'-(2,5-difluorophenyl)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide?
The IUPAC name of N'-(2,5-difluorophenyl)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide (CID 18584453) is N'-(2,5-difluorophenyl)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide.
What is the SMILES notation for N'-(2,5-difluorophenyl)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide?
The canonical SMILES for N'-(2,5-difluorophenyl)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide is Cc1ccc(NC(=O)C(=O)Nc2cc(F)ccc2F)cc1N1CCCC1=O.
What is the InChIKey of N'-(2,5-difluorophenyl)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide?
The InChIKey is XIEHJXWLADXQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O3/c1-11-4-6-13(10-16(11)24-8-2-3-17(24)25)22-18(26)19(27)23-15-9-12(20)5-7-14(15)21/h4-7,9-10H,2-3,8H2,1H3,(H,22,26)(H,23,27).
What are the key properties of N'-(2,5-difluorophenyl)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide?
N'-(2,5-difluorophenyl)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide has a molecular weight of 373.36 g/mol, XLogP of 2.98, 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-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide is sourced from PubChem (CID 18584453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).