N'-(2,6-dimethylphenyl)-N-(3-fluorophenyl)oxamide

C16H15FN2O2 — CID 108531930

IUPACN'-(2,6-dimethylphenyl)-N-(3-fluorophenyl)oxamide
SMILESCc1cccc(C)c1NC(=O)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C16H15FN2O2/c1-10-5-3-6-11(2)14(10)19-16(21)15(20)18-13-8-4-7-12(17)9-13/h3-9H,1-2H3,(H,18,20)(H,19,21)
InChIKeyDTLWBKQXBOULML-UHFFFAOYSA-N
MW286.31 g/mol
LogP3.02
Rot. Bonds2

About N'-(2,6-dimethylphenyl)-N-(3-fluorophenyl)oxamide

N'-(2,6-dimethylphenyl)-N-(3-fluorophenyl)oxamide (PubChem CID 108531930) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is N'-(2,6-dimethylphenyl)-N-(3-fluorophenyl)oxamide.

Molecular Properties

Compound NameN'-(2,6-dimethylphenyl)-N-(3-fluorophenyl)oxamide
PubChem CID108531930
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC NameN'-(2,6-dimethylphenyl)-N-(3-fluorophenyl)oxamide
SMILESCc1cccc(C)c1NC(=O)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C16H15FN2O2/c1-10-5-3-6-11(2)14(10)19-16(21)15(20)18-13-8-4-7-12(17)9-13/h3-9H,1-2H3,(H,18,20)(H,19,21)
InChIKeyDTLWBKQXBOULML-UHFFFAOYSA-N
XLogP3.02
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,6-difluorophenyl)-N-(3-fluorophenyl)oxamide
CID 108522116
N,N'-bis(2,6-dimethylphenyl)oxamide
CID 3764178
(3-fluorophenyl)carbamic acid;hydrochloride
CID 70589934
N-(2,5-difluorophenyl)-N'-(2,6-dimethylphenyl)oxamide
CID 108532429
N'-(5-chloro-2-methylphenyl)-N-(3-fluorophenyl)oxamide
CID 108511843
N'-(3-bromophenyl)-N-(3-fluorophenyl)oxamide
CID 108529598
N-(4-bromo-3-methylphenyl)-N'-(2,6-dimethylphenyl)oxamide
CID 108532418
N'-(2-ethyl-6-methylphenyl)-N-(3-fluorophenyl)propanediamide
CID 108954227
N-(2,6-dimethylphenyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 108512317
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-(2,6-dimethylphenyl)oxamide
CID 45000357
N'-(2,6-difluorophenyl)-N-(3-methylphenyl)oxamide
CID 108515662
N-(2-acetamidoethyl)-N'-(3-fluorophenyl)oxamide
CID 47226155

Frequently Asked Questions

What is the IUPAC name of N'-(2,6-dimethylphenyl)-N-(3-fluorophenyl)oxamide?
The IUPAC name of N'-(2,6-dimethylphenyl)-N-(3-fluorophenyl)oxamide (CID 108531930) is N'-(2,6-dimethylphenyl)-N-(3-fluorophenyl)oxamide.
What is the SMILES notation for N'-(2,6-dimethylphenyl)-N-(3-fluorophenyl)oxamide?
The canonical SMILES for N'-(2,6-dimethylphenyl)-N-(3-fluorophenyl)oxamide is Cc1cccc(C)c1NC(=O)C(=O)Nc1cccc(F)c1.
What is the InChIKey of N'-(2,6-dimethylphenyl)-N-(3-fluorophenyl)oxamide?
The InChIKey is DTLWBKQXBOULML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2/c1-10-5-3-6-11(2)14(10)19-16(21)15(20)18-13-8-4-7-12(17)9-13/h3-9H,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N'-(2,6-dimethylphenyl)-N-(3-fluorophenyl)oxamide?
N'-(2,6-dimethylphenyl)-N-(3-fluorophenyl)oxamide has a molecular weight of 286.31 g/mol, XLogP of 3.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,6-dimethylphenyl)-N-(3-fluorophenyl)oxamide is sourced from PubChem (CID 108531930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).