N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-2-(4-fluorophenyl)acetamide

C22H27FN2O2 — CID 113000660

IUPACN-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-2-(4-fluorophenyl)acetamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)CNC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C22H27FN2O2/c1-14(2)18-6-5-7-19(15(3)4)22(18)25-21(27)13-24-20(26)12-16-8-10-17(23)11-9-16/h5-11,14-15H,12-13H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyOEAHCOLGODKQRE-UHFFFAOYSA-N
MW370.47 g/mol
LogP4.37
Rot. Bonds7

About N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-2-(4-fluorophenyl)acetamide

N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-2-(4-fluorophenyl)acetamide (PubChem CID 113000660) has the molecular formula C22H27FN2O2 and a molecular weight of 370.47 g/mol. Its IUPAC name is N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-2-(4-fluorophenyl)acetamide
PubChem CID113000660
Molecular FormulaC22H27FN2O2
Molecular Weight370.47 g/mol
Exact Mass370.21
IUPAC NameN-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-2-(4-fluorophenyl)acetamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)CNC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C22H27FN2O2/c1-14(2)18-6-5-7-19(15(3)4)22(18)25-21(27)13-24-20(26)12-16-8-10-17(23)11-9-16/h5-11,14-15H,12-13H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyOEAHCOLGODKQRE-UHFFFAOYSA-N
XLogP4.37
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
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

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Related Compounds

N-[2,6-di(propan-2-yl)phenyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 49381870
2-(4-fluorophenyl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 7919869
N-[2,6-di(propan-2-yl)phenyl]-2-[(4-fluorophenyl)methylamino]acetamide
CID 108997808
N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-2-methylpropanamide
CID 113000636
N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]butanamide
CID 113000635
N-[2,6-di(propan-2-yl)phenyl]-3-[(4-fluorophenyl)methylamino]propanamide
CID 109021297
2-(4-fluorophenyl)-N-(3-methyl-2-oxobutyl)acetamide
CID 64996810
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 113002290
2-(3,4-dimethoxyphenyl)-N-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]acetamide
CID 112997410
2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 9370543
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 9370539
2-(4-chlorophenyl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 2165744

Frequently Asked Questions

What is the IUPAC name of N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-2-(4-fluorophenyl)acetamide (CID 113000660) is N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-2-(4-fluorophenyl)acetamide is CC(C)c1cccc(C(C)C)c1NC(=O)CNC(=O)Cc1ccc(F)cc1.
What is the InChIKey of N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is OEAHCOLGODKQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O2/c1-14(2)18-6-5-7-19(15(3)4)22(18)25-21(27)13-24-20(26)12-16-8-10-17(23)11-9-16/h5-11,14-15H,12-13H2,1-4H3,(H,24,26)(H,25,27).
What are the key properties of N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-2-(4-fluorophenyl)acetamide?
N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 370.47 g/mol, XLogP of 4.37, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 113000660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).