N-(4-tert-butylphenyl)-2-(2,4-difluoroanilino)acetamide

C18H20F2N2O — CID 109008349

IUPACN-(4-tert-butylphenyl)-2-(2,4-difluoroanilino)acetamide
SMILESCC(C)(C)c1ccc(NC(=O)CNc2ccc(F)cc2F)cc1
InChIInChI=1S/C18H20F2N2O/c1-18(2,3)12-4-7-14(8-5-12)22-17(23)11-21-16-9-6-13(19)10-15(16)20/h4-10,21H,11H2,1-3H3,(H,22,23)
InChIKeyUQADSKVNZNOQPR-UHFFFAOYSA-N
MW318.37 g/mol
LogP4.31
Rot. Bonds4

About N-(4-tert-butylphenyl)-2-(2,4-difluoroanilino)acetamide

N-(4-tert-butylphenyl)-2-(2,4-difluoroanilino)acetamide (PubChem CID 109008349) has the molecular formula C18H20F2N2O and a molecular weight of 318.37 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-(2,4-difluoroanilino)acetamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-(2,4-difluoroanilino)acetamide
PubChem CID109008349
Molecular FormulaC18H20F2N2O
Molecular Weight318.37 g/mol
Exact Mass318.15
IUPAC NameN-(4-tert-butylphenyl)-2-(2,4-difluoroanilino)acetamide
SMILESCC(C)(C)c1ccc(NC(=O)CNc2ccc(F)cc2F)cc1
InChIInChI=1S/C18H20F2N2O/c1-18(2,3)12-4-7-14(8-5-12)22-17(23)11-21-16-9-6-13(19)10-15(16)20/h4-10,21H,11H2,1-3H3,(H,22,23)
InChIKeyUQADSKVNZNOQPR-UHFFFAOYSA-N
XLogP4.31
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetamidophenyl)-2-(2,4-difluoroanilino)acetamide
CID 109010043
2-(2,4-difluoroanilino)-N-(2,4-difluorophenyl)acetamide
CID 109011050
N-(3-bromo-4-methylphenyl)-2-(2,4-difluoroanilino)acetamide
CID 109009001
2-(5-fluoro-2-methylanilino)-N-(4-fluorophenyl)acetamide
CID 9099732
2-(2,4-difluoroanilino)-N-(4-phenylmethoxyphenyl)acetamide
CID 109010754
N-(4-acetamidophenyl)-3-(2,4-difluoroanilino)propanamide
CID 109041216
N'-(2,4-difluorophenyl)-N-(4-fluorophenyl)propanediamide
CID 108954847
2-(5-bromo-4-fluoro-2-methylanilino)-N-(4-fluorophenyl)acetamide
CID 107592105
2-(2-bromo-4-fluoroanilino)-N-(4-chlorophenyl)acetamide
CID 28939364
N-(2,4-difluorophenyl)-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide
CID 16580967
N-(3-cyanophenyl)-2-(2,4-difluoroanilino)acetamide
CID 109011066
N-(4-methylphenyl)-2-(2,4,5-trifluoroanilino)acetamide
CID 62816420

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-(2,4-difluoroanilino)acetamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-(2,4-difluoroanilino)acetamide (CID 109008349) is N-(4-tert-butylphenyl)-2-(2,4-difluoroanilino)acetamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-(2,4-difluoroanilino)acetamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-(2,4-difluoroanilino)acetamide is CC(C)(C)c1ccc(NC(=O)CNc2ccc(F)cc2F)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-(2,4-difluoroanilino)acetamide?
The InChIKey is UQADSKVNZNOQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O/c1-18(2,3)12-4-7-14(8-5-12)22-17(23)11-21-16-9-6-13(19)10-15(16)20/h4-10,21H,11H2,1-3H3,(H,22,23).
What are the key properties of N-(4-tert-butylphenyl)-2-(2,4-difluoroanilino)acetamide?
N-(4-tert-butylphenyl)-2-(2,4-difluoroanilino)acetamide has a molecular weight of 318.37 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-(2,4-difluoroanilino)acetamide is sourced from PubChem (CID 109008349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).