N-(5-acetamido-2-methoxyphenyl)-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide

C19H20F3N3O3 — CID 24614942

IUPACN-(5-acetamido-2-methoxyphenyl)-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)CNc1ccc(C)c(C(F)(F)F)c1
InChIInChI=1S/C19H20F3N3O3/c1-11-4-5-13(8-15(11)19(20,21)22)23-10-18(27)25-16-9-14(24-12(2)26)6-7-17(16)28-3/h4-9,23H,10H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyQXSKKUFVDVUNKZ-UHFFFAOYSA-N
MW395.38 g/mol
LogP4.03
Rot. Bonds6

About N-(5-acetamido-2-methoxyphenyl)-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide

N-(5-acetamido-2-methoxyphenyl)-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide (PubChem CID 24614942) has the molecular formula C19H20F3N3O3 and a molecular weight of 395.38 g/mol. Its IUPAC name is N-(5-acetamido-2-methoxyphenyl)-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methoxyphenyl)-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide
PubChem CID24614942
Molecular FormulaC19H20F3N3O3
Molecular Weight395.38 g/mol
Exact Mass395.15
IUPAC NameN-(5-acetamido-2-methoxyphenyl)-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)CNc1ccc(C)c(C(F)(F)F)c1
InChIInChI=1S/C19H20F3N3O3/c1-11-4-5-13(8-15(11)19(20,21)22)23-10-18(27)25-16-9-14(24-12(2)26)6-7-17(16)28-3/h4-9,23H,10H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyQXSKKUFVDVUNKZ-UHFFFAOYSA-N
XLogP4.03
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.38
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methoxyphenyl)-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide?
The IUPAC name of N-(5-acetamido-2-methoxyphenyl)-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide (CID 24614942) is N-(5-acetamido-2-methoxyphenyl)-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for N-(5-acetamido-2-methoxyphenyl)-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for N-(5-acetamido-2-methoxyphenyl)-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide is COc1ccc(NC(C)=O)cc1NC(=O)CNc1ccc(C)c(C(F)(F)F)c1.
What is the InChIKey of N-(5-acetamido-2-methoxyphenyl)-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide?
The InChIKey is QXSKKUFVDVUNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O3/c1-11-4-5-13(8-15(11)19(20,21)22)23-10-18(27)25-16-9-14(24-12(2)26)6-7-17(16)28-3/h4-9,23H,10H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of N-(5-acetamido-2-methoxyphenyl)-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide?
N-(5-acetamido-2-methoxyphenyl)-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide has a molecular weight of 395.38 g/mol, XLogP of 4.03, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methoxyphenyl)-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 24614942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).