2-[4-(difluoromethyl)phenyl]-2-(4-methylanilino)acetamide

C16H16F2N2O — CID 115524448

IUPAC2-[4-(difluoromethyl)phenyl]-2-(4-methylanilino)acetamide
SMILESCc1ccc(NC(C(N)=O)c2ccc(C(F)F)cc2)cc1
InChIInChI=1S/C16H16F2N2O/c1-10-2-8-13(9-3-10)20-14(16(19)21)11-4-6-12(7-5-11)15(17)18/h2-9,14-15,20H,1H3,(H2,19,21)
InChIKeySQWBYSZRONWOBH-UHFFFAOYSA-N
MW290.31 g/mol
LogP3.57
Rot. Bonds5

About 2-[4-(difluoromethyl)phenyl]-2-(4-methylanilino)acetamide

2-[4-(difluoromethyl)phenyl]-2-(4-methylanilino)acetamide (PubChem CID 115524448) has the molecular formula C16H16F2N2O and a molecular weight of 290.31 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)phenyl]-2-(4-methylanilino)acetamide.

Molecular Properties

Compound Name2-[4-(difluoromethyl)phenyl]-2-(4-methylanilino)acetamide
PubChem CID115524448
Molecular FormulaC16H16F2N2O
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC Name2-[4-(difluoromethyl)phenyl]-2-(4-methylanilino)acetamide
SMILESCc1ccc(NC(C(N)=O)c2ccc(C(F)F)cc2)cc1
InChIInChI=1S/C16H16F2N2O/c1-10-2-8-13(9-3-10)20-14(16(19)21)11-4-6-12(7-5-11)15(17)18/h2-9,14-15,20H,1H3,(H2,19,21)
InChIKeySQWBYSZRONWOBH-UHFFFAOYSA-N
XLogP3.57
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(4-fluorophenyl)-2-(4-methylanilino)acetamide
CID 93381369
2-[4-(dimethylamino)phenyl]-2-(4-methylanilino)acetamide
CID 61006085
2-(3-fluoro-4-hydroxyphenyl)-2-(4-methylanilino)acetamide
CID 107686167
methyl 2-(4-methoxyanilino)-2-(4-methylphenyl)acetate
CID 60991897
methyl 2-(4-fluoroanilino)-2-(4-methylphenyl)acetate
CID 60991414
2-(4-methylanilino)-2-(2,4,6-trimethylphenyl)acetamide
CID 61005259
2-anilino-2-phenylacetamide;ethane
CID 142824395
2-[4-(difluoromethyl)phenyl]-2-(4-fluoroanilino)acetic acid
CID 115524519
2-(4-hydroxyphenyl)-2-(4-methylanilino)acetic acid
CID 54890022
ethyl 2-(4-methoxyanilino)-2-(4-methylphenyl)acetate
CID 102078700
2-(4-fluoroanilino)-2-(3-fluoro-4-methylphenyl)acetamide
CID 63649606
(2S)-2-(3,5-dimethylanilino)-2-phenylacetamide
CID 25348784

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)phenyl]-2-(4-methylanilino)acetamide?
The IUPAC name of 2-[4-(difluoromethyl)phenyl]-2-(4-methylanilino)acetamide (CID 115524448) is 2-[4-(difluoromethyl)phenyl]-2-(4-methylanilino)acetamide.
What is the SMILES notation for 2-[4-(difluoromethyl)phenyl]-2-(4-methylanilino)acetamide?
The canonical SMILES for 2-[4-(difluoromethyl)phenyl]-2-(4-methylanilino)acetamide is Cc1ccc(NC(C(N)=O)c2ccc(C(F)F)cc2)cc1.
What is the InChIKey of 2-[4-(difluoromethyl)phenyl]-2-(4-methylanilino)acetamide?
The InChIKey is SQWBYSZRONWOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O/c1-10-2-8-13(9-3-10)20-14(16(19)21)11-4-6-12(7-5-11)15(17)18/h2-9,14-15,20H,1H3,(H2,19,21).
What are the key properties of 2-[4-(difluoromethyl)phenyl]-2-(4-methylanilino)acetamide?
2-[4-(difluoromethyl)phenyl]-2-(4-methylanilino)acetamide has a molecular weight of 290.31 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)phenyl]-2-(4-methylanilino)acetamide is sourced from PubChem (CID 115524448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).