N-[2-(2-fluoro-5-methylanilino)-2-oxoethyl]-2,2-dimethylpropanamide

C14H19FN2O2 — CID 36805569

IUPACN-[2-(2-fluoro-5-methylanilino)-2-oxoethyl]-2,2-dimethylpropanamide
SMILESCc1ccc(F)c(NC(=O)CNC(=O)C(C)(C)C)c1
InChIInChI=1S/C14H19FN2O2/c1-9-5-6-10(15)11(7-9)17-12(18)8-16-13(19)14(2,3)4/h5-7H,8H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyJGQZTIXWEQOOLI-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.23
Rot. Bonds3

About N-[2-(2-fluoro-5-methylanilino)-2-oxoethyl]-2,2-dimethylpropanamide

N-[2-(2-fluoro-5-methylanilino)-2-oxoethyl]-2,2-dimethylpropanamide (PubChem CID 36805569) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is N-[2-(2-fluoro-5-methylanilino)-2-oxoethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-(2-fluoro-5-methylanilino)-2-oxoethyl]-2,2-dimethylpropanamide
PubChem CID36805569
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC NameN-[2-(2-fluoro-5-methylanilino)-2-oxoethyl]-2,2-dimethylpropanamide
SMILESCc1ccc(F)c(NC(=O)CNC(=O)C(C)(C)C)c1
InChIInChI=1S/C14H19FN2O2/c1-9-5-6-10(15)11(7-9)17-12(18)8-16-13(19)14(2,3)4/h5-7H,8H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyJGQZTIXWEQOOLI-UHFFFAOYSA-N
XLogP2.23
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-fluoro-5-methylanilino)-4-oxobutanoic acid
CID 6470807
N-(2-fluoro-5-methylphenyl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 17449540
(3Z)-3-amino-N-(2-fluoro-5-methylphenyl)-3-hydroxyiminopropanamide
CID 43156189
N-(2-fluoro-5-methylphenyl)-2-(4-hydroxyphenyl)acetamide
CID 78838557
N-(2-fluoro-4-methylphenyl)-2,2-dimethylpropanamide
CID 24898894
N-[3-(dimethylamino)-2,2-dimethylpropyl]-N'-(2-fluoro-5-methylphenyl)butanediamide
CID 46995000
2-(2-aminoethoxy)-N-(2-fluoro-5-methylphenyl)acetamide
CID 79464256
N-carbamoyl-2-(2-fluoro-5-methylanilino)acetamide
CID 28879433
N-(2-fluoro-5-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 26664203
N-(2-fluoro-5-methylphenyl)-4-methylbenzamide
CID 7718843
N'-(2-fluoro-5-methylphenyl)-N-(2-hydroxy-2-prop-2-enylpent-4-enyl)butanediamide
CID 46984462
2-(3-acetamido-4-fluoroanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 31766831

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluoro-5-methylanilino)-2-oxoethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-(2-fluoro-5-methylanilino)-2-oxoethyl]-2,2-dimethylpropanamide (CID 36805569) is N-[2-(2-fluoro-5-methylanilino)-2-oxoethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-(2-fluoro-5-methylanilino)-2-oxoethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-(2-fluoro-5-methylanilino)-2-oxoethyl]-2,2-dimethylpropanamide is Cc1ccc(F)c(NC(=O)CNC(=O)C(C)(C)C)c1.
What is the InChIKey of N-[2-(2-fluoro-5-methylanilino)-2-oxoethyl]-2,2-dimethylpropanamide?
The InChIKey is JGQZTIXWEQOOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-9-5-6-10(15)11(7-9)17-12(18)8-16-13(19)14(2,3)4/h5-7H,8H2,1-4H3,(H,16,19)(H,17,18).
What are the key properties of N-[2-(2-fluoro-5-methylanilino)-2-oxoethyl]-2,2-dimethylpropanamide?
N-[2-(2-fluoro-5-methylanilino)-2-oxoethyl]-2,2-dimethylpropanamide has a molecular weight of 266.32 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluoro-5-methylanilino)-2-oxoethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 36805569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).