N-(3-fluorophenyl)-N'-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]oxamide

C20H20FN3O3 — CID 30680044

IUPACN-(3-fluorophenyl)-N'-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]oxamide
SMILESCc1ccc(NC(=O)C(=O)Nc2cccc(F)c2)cc1N1CCCCC1=O
InChIInChI=1S/C20H20FN3O3/c1-13-8-9-16(12-17(13)24-10-3-2-7-18(24)25)23-20(27)19(26)22-15-6-4-5-14(21)11-15/h4-6,8-9,11-12H,2-3,7,10H2,1H3,(H,22,26)(H,23,27)
InChIKeyKTFSBBZGMWTWPP-UHFFFAOYSA-N
MW369.40 g/mol
LogP3.23
Rot. Bonds3

About N-(3-fluorophenyl)-N'-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]oxamide

N-(3-fluorophenyl)-N'-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]oxamide (PubChem CID 30680044) has the molecular formula C20H20FN3O3 and a molecular weight of 369.40 g/mol. Its IUPAC name is N-(3-fluorophenyl)-N'-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]oxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-N'-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]oxamide
PubChem CID30680044
Molecular FormulaC20H20FN3O3
Molecular Weight369.40 g/mol
Exact Mass369.15
IUPAC NameN-(3-fluorophenyl)-N'-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]oxamide
SMILESCc1ccc(NC(=O)C(=O)Nc2cccc(F)c2)cc1N1CCCCC1=O
InChIInChI=1S/C20H20FN3O3/c1-13-8-9-16(12-17(13)24-10-3-2-7-18(24)25)23-20(27)19(26)22-15-6-4-5-14(21)11-15/h4-6,8-9,11-12H,2-3,7,10H2,1H3,(H,22,26)(H,23,27)
InChIKeyKTFSBBZGMWTWPP-UHFFFAOYSA-N
XLogP3.23
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 53.23
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-fluorophenyl)-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679287
N'-(3-fluoro-4-methylphenyl)-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]oxamide
CID 30680066
N-(3,4-dimethylphenyl)-N'-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]oxamide
CID 30680052
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
2,2-dimethyl-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]propanamide
CID 7687770
3,4-difluoro-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687739
N-[(2-chlorophenyl)methyl]-N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 18584450
N-[(4-methoxyphenyl)methyl]-N'-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]oxamide
CID 30680010
N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 7687806
N'-(5-chloro-2-methoxyphenyl)-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]oxamide
CID 44901794

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-N'-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]oxamide?
The IUPAC name of N-(3-fluorophenyl)-N'-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]oxamide (CID 30680044) is N-(3-fluorophenyl)-N'-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]oxamide.
What is the SMILES notation for N-(3-fluorophenyl)-N'-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]oxamide?
The canonical SMILES for N-(3-fluorophenyl)-N'-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]oxamide is Cc1ccc(NC(=O)C(=O)Nc2cccc(F)c2)cc1N1CCCCC1=O.
What is the InChIKey of N-(3-fluorophenyl)-N'-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]oxamide?
The InChIKey is KTFSBBZGMWTWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3/c1-13-8-9-16(12-17(13)24-10-3-2-7-18(24)25)23-20(27)19(26)22-15-6-4-5-14(21)11-15/h4-6,8-9,11-12H,2-3,7,10H2,1H3,(H,22,26)(H,23,27).
What are the key properties of N-(3-fluorophenyl)-N'-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]oxamide?
N-(3-fluorophenyl)-N'-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]oxamide has a molecular weight of 369.40 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-N'-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]oxamide is sourced from PubChem (CID 30680044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).