N-[4-(2,4-difluoroanilino)phenyl]-2,2-dimethylpropanamide

C17H18F2N2O — CID 112989406

IUPACN-[4-(2,4-difluoroanilino)phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C17H18F2N2O/c1-17(2,3)16(22)21-13-7-5-12(6-8-13)20-15-9-4-11(18)10-14(15)19/h4-10,20H,1-3H3,(H,21,22)
InChIKeyUTDDDUDUNGFTJL-UHFFFAOYSA-N
MW304.34 g/mol
LogP4.69
Rot. Bonds3

About N-[4-(2,4-difluoroanilino)phenyl]-2,2-dimethylpropanamide

N-[4-(2,4-difluoroanilino)phenyl]-2,2-dimethylpropanamide (PubChem CID 112989406) has the molecular formula C17H18F2N2O and a molecular weight of 304.34 g/mol. Its IUPAC name is N-[4-(2,4-difluoroanilino)phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-(2,4-difluoroanilino)phenyl]-2,2-dimethylpropanamide
PubChem CID112989406
Molecular FormulaC17H18F2N2O
Molecular Weight304.34 g/mol
Exact Mass304.14
IUPAC NameN-[4-(2,4-difluoroanilino)phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C17H18F2N2O/c1-17(2,3)16(22)21-13-7-5-12(6-8-13)20-15-9-4-11(18)10-14(15)19/h4-10,20H,1-3H3,(H,21,22)
InChIKeyUTDDDUDUNGFTJL-UHFFFAOYSA-N
XLogP4.69
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-difluorophenyl)-N'-(4-fluorophenyl)-2,2-dimethylpropanediamide
CID 108968827
N-(4-chlorophenyl)-N'-(2,4-difluorophenyl)-2,2-dimethylpropanediamide
CID 108969011
1-[4-(2,4-difluoroanilino)phenyl]ethanone
CID 82536666
N-(4-cyanophenyl)-N'-(2,4-difluorophenyl)-2,2-dimethylpropanediamide
CID 108970065
5-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109198992
N-[4-fluoro-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
CID 59677530
4-N-(2,4-difluorophenyl)benzene-1,4-diamine
CID 4764057
N-tert-butyl-5-(2,4-difluoroanilino)pyridine-2-carboxamide
CID 109195143
N-(4-tert-butylphenyl)-2-(2,4-difluoroanilino)acetamide
CID 109008349
N-(2-fluoro-4-hydroxyphenyl)-2,2-dimethylpropanamide
CID 64795167
N-(4-fluoro-3-methylphenyl)-2,2-dimethylpropanamide
CID 63235993
N-(2-fluoro-4-methylphenyl)-2,2-dimethylpropanamide
CID 24898894

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-difluoroanilino)phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-(2,4-difluoroanilino)phenyl]-2,2-dimethylpropanamide (CID 112989406) is N-[4-(2,4-difluoroanilino)phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-(2,4-difluoroanilino)phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-(2,4-difluoroanilino)phenyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ccc(Nc2ccc(F)cc2F)cc1.
What is the InChIKey of N-[4-(2,4-difluoroanilino)phenyl]-2,2-dimethylpropanamide?
The InChIKey is UTDDDUDUNGFTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O/c1-17(2,3)16(22)21-13-7-5-12(6-8-13)20-15-9-4-11(18)10-14(15)19/h4-10,20H,1-3H3,(H,21,22).
What are the key properties of N-[4-(2,4-difluoroanilino)phenyl]-2,2-dimethylpropanamide?
N-[4-(2,4-difluoroanilino)phenyl]-2,2-dimethylpropanamide has a molecular weight of 304.34 g/mol, XLogP of 4.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-difluoroanilino)phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 112989406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).