N'-[2,6-di(propan-2-yl)phenyl]-N-[2-(2-fluorophenyl)ethyl]oxamide

C22H27FN2O2 — CID 108985279

IUPACN'-[2,6-di(propan-2-yl)phenyl]-N-[2-(2-fluorophenyl)ethyl]oxamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)C(=O)NCCc1ccccc1F
InChIInChI=1S/C22H27FN2O2/c1-14(2)17-9-7-10-18(15(3)4)20(17)25-22(27)21(26)24-13-12-16-8-5-6-11-19(16)23/h5-11,14-15H,12-13H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyMAIIEQVCTPSGCK-UHFFFAOYSA-N
MW370.47 g/mol
LogP4.37
Rot. Bonds6

About N'-[2,6-di(propan-2-yl)phenyl]-N-[2-(2-fluorophenyl)ethyl]oxamide

N'-[2,6-di(propan-2-yl)phenyl]-N-[2-(2-fluorophenyl)ethyl]oxamide (PubChem CID 108985279) has the molecular formula C22H27FN2O2 and a molecular weight of 370.47 g/mol. Its IUPAC name is N'-[2,6-di(propan-2-yl)phenyl]-N-[2-(2-fluorophenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-[2,6-di(propan-2-yl)phenyl]-N-[2-(2-fluorophenyl)ethyl]oxamide
PubChem CID108985279
Molecular FormulaC22H27FN2O2
Molecular Weight370.47 g/mol
Exact Mass370.21
IUPAC NameN'-[2,6-di(propan-2-yl)phenyl]-N-[2-(2-fluorophenyl)ethyl]oxamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)C(=O)NCCc1ccccc1F
InChIInChI=1S/C22H27FN2O2/c1-14(2)17-9-7-10-18(15(3)4)20(17)25-22(27)21(26)24-13-12-16-8-5-6-11-19(16)23/h5-11,14-15H,12-13H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyMAIIEQVCTPSGCK-UHFFFAOYSA-N
XLogP4.37
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 54.37
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-[2-(2-fluorophenyl)ethyl]oxamide
CID 108985302
N-[2-(2-fluorophenyl)ethyl]-N'-(2,3,4-trifluorophenyl)oxamide
CID 108985301
N-[2-(2-fluorophenyl)ethyl]-N'-(1,3-thiazol-2-yl)oxamide
CID 2266097
1-N-[2,6-di(propan-2-yl)phenyl]-2-N-[(2-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135996
N-[2,6-di(propan-2-yl)phenyl]-2-[(2-fluorophenyl)methylamino]acetamide;oxalic acid
CID 15945258
methyl 3-[[2-[2-(2-fluorophenyl)ethylamino]-2-oxoacetyl]amino]benzoate
CID 108985257
N-[2-(2-fluorophenyl)ethyl]-N'-(5-methyl-1-propan-2-ylpyrazol-3-yl)oxamide
CID 155951854
N-[2-(2-fluorophenyl)ethyl]-N'-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108985263
N'-(2,6-diethylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide
CID 108948280
N-[2-(2-fluorophenyl)ethyl]propanamide
CID 22380876
N-[2-(2-fluorophenyl)ethyl]-N'-(4-propan-2-ylphenyl)propanediamide
CID 108948278
2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118

Frequently Asked Questions

What is the IUPAC name of N'-[2,6-di(propan-2-yl)phenyl]-N-[2-(2-fluorophenyl)ethyl]oxamide?
The IUPAC name of N'-[2,6-di(propan-2-yl)phenyl]-N-[2-(2-fluorophenyl)ethyl]oxamide (CID 108985279) is N'-[2,6-di(propan-2-yl)phenyl]-N-[2-(2-fluorophenyl)ethyl]oxamide.
What is the SMILES notation for N'-[2,6-di(propan-2-yl)phenyl]-N-[2-(2-fluorophenyl)ethyl]oxamide?
The canonical SMILES for N'-[2,6-di(propan-2-yl)phenyl]-N-[2-(2-fluorophenyl)ethyl]oxamide is CC(C)c1cccc(C(C)C)c1NC(=O)C(=O)NCCc1ccccc1F.
What is the InChIKey of N'-[2,6-di(propan-2-yl)phenyl]-N-[2-(2-fluorophenyl)ethyl]oxamide?
The InChIKey is MAIIEQVCTPSGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O2/c1-14(2)17-9-7-10-18(15(3)4)20(17)25-22(27)21(26)24-13-12-16-8-5-6-11-19(16)23/h5-11,14-15H,12-13H2,1-4H3,(H,24,26)(H,25,27).
What are the key properties of N'-[2,6-di(propan-2-yl)phenyl]-N-[2-(2-fluorophenyl)ethyl]oxamide?
N'-[2,6-di(propan-2-yl)phenyl]-N-[2-(2-fluorophenyl)ethyl]oxamide has a molecular weight of 370.47 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2,6-di(propan-2-yl)phenyl]-N-[2-(2-fluorophenyl)ethyl]oxamide is sourced from PubChem (CID 108985279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).