2-[2-(2-fluoro-4-methylanilino)-2-oxoethoxy]-4-methylbenzamide

C17H17FN2O3 — CID 24585355

IUPAC2-[2-(2-fluoro-4-methylanilino)-2-oxoethoxy]-4-methylbenzamide
SMILESCc1ccc(NC(=O)COc2cc(C)ccc2C(N)=O)c(F)c1
InChIInChI=1S/C17H17FN2O3/c1-10-4-6-14(13(18)7-10)20-16(21)9-23-15-8-11(2)3-5-12(15)17(19)22/h3-8H,9H2,1-2H3,(H2,19,22)(H,20,21)
InChIKeyVKQXRTQPZNPBDC-UHFFFAOYSA-N
MW316.33 g/mol
LogP2.56
Rot. Bonds5

About 2-[2-(2-fluoro-4-methylanilino)-2-oxoethoxy]-4-methylbenzamide

2-[2-(2-fluoro-4-methylanilino)-2-oxoethoxy]-4-methylbenzamide (PubChem CID 24585355) has the molecular formula C17H17FN2O3 and a molecular weight of 316.33 g/mol. Its IUPAC name is 2-[2-(2-fluoro-4-methylanilino)-2-oxoethoxy]-4-methylbenzamide.

Molecular Properties

Compound Name2-[2-(2-fluoro-4-methylanilino)-2-oxoethoxy]-4-methylbenzamide
PubChem CID24585355
Molecular FormulaC17H17FN2O3
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC Name2-[2-(2-fluoro-4-methylanilino)-2-oxoethoxy]-4-methylbenzamide
SMILESCc1ccc(NC(=O)COc2cc(C)ccc2C(N)=O)c(F)c1
InChIInChI=1S/C17H17FN2O3/c1-10-4-6-14(13(18)7-10)20-16(21)9-23-15-8-11(2)3-5-12(15)17(19)22/h3-8H,9H2,1-2H3,(H2,19,22)(H,20,21)
InChIKeyVKQXRTQPZNPBDC-UHFFFAOYSA-N
XLogP2.56
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluoro-4-methylphenyl)-2-(2-fluorophenoxy)acetamide
CID 7815061
2-(2-ethoxyphenoxy)-N-(2-fluoro-4-methylphenyl)acetamide
CID 8893933
2-[2-(2-chloro-4-methylanilino)-2-oxoethoxy]-4-methoxybenzamide
CID 18085795
4-methyl-2-[2-oxo-2-[4-(trifluoromethyl)anilino]ethoxy]benzamide
CID 46681458
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(2-fluoro-4-methylphenyl)benzamide
CID 26523025
2-[2-[5-chloro-2-(4-ethoxyphenoxy)anilino]-2-oxoethoxy]-4-methylbenzamide
CID 24585455
2-(2-aminoethoxy)-N-(2-fluoro-4-methylphenyl)acetamide
CID 79463499
4-methyl-2-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzamide
CID 46681501
N-(2,4-difluorophenyl)-2-(4-methylphenoxy)acetamide
CID 755254
4-methyl-2-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzamide
CID 36578757
N-(5-amino-2-fluorophenyl)-2-(2-fluoro-5-methylphenoxy)acetamide
CID 64853622
[2-(2-fluoro-4-methylanilino)-2-oxoethyl] 2,4-dichlorobenzoate
CID 7862809

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluoro-4-methylanilino)-2-oxoethoxy]-4-methylbenzamide?
The IUPAC name of 2-[2-(2-fluoro-4-methylanilino)-2-oxoethoxy]-4-methylbenzamide (CID 24585355) is 2-[2-(2-fluoro-4-methylanilino)-2-oxoethoxy]-4-methylbenzamide.
What is the SMILES notation for 2-[2-(2-fluoro-4-methylanilino)-2-oxoethoxy]-4-methylbenzamide?
The canonical SMILES for 2-[2-(2-fluoro-4-methylanilino)-2-oxoethoxy]-4-methylbenzamide is Cc1ccc(NC(=O)COc2cc(C)ccc2C(N)=O)c(F)c1.
What is the InChIKey of 2-[2-(2-fluoro-4-methylanilino)-2-oxoethoxy]-4-methylbenzamide?
The InChIKey is VKQXRTQPZNPBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3/c1-10-4-6-14(13(18)7-10)20-16(21)9-23-15-8-11(2)3-5-12(15)17(19)22/h3-8H,9H2,1-2H3,(H2,19,22)(H,20,21).
What are the key properties of 2-[2-(2-fluoro-4-methylanilino)-2-oxoethoxy]-4-methylbenzamide?
2-[2-(2-fluoro-4-methylanilino)-2-oxoethoxy]-4-methylbenzamide has a molecular weight of 316.33 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluoro-4-methylanilino)-2-oxoethoxy]-4-methylbenzamide is sourced from PubChem (CID 24585355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).