2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(2-chloro-4,6-dimethylphenyl)acetamide

C19H18ClF3N2O2 — CID 113175336

IUPAC2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(2-chloro-4,6-dimethylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1c(C)cc(C)cc1Cl)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H18ClF3N2O2/c1-11-8-12(2)18(16(20)9-11)24-17(27)10-25(13(3)26)15-6-4-14(5-7-15)19(21,22)23/h4-9H,10H2,1-3H3,(H,24,27)
InChIKeyAZONYNIHOPSXNK-UHFFFAOYSA-N
MW398.81 g/mol
LogP4.97
Rot. Bonds4

About 2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(2-chloro-4,6-dimethylphenyl)acetamide

2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(2-chloro-4,6-dimethylphenyl)acetamide (PubChem CID 113175336) has the molecular formula C19H18ClF3N2O2 and a molecular weight of 398.81 g/mol. Its IUPAC name is 2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(2-chloro-4,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(2-chloro-4,6-dimethylphenyl)acetamide
PubChem CID113175336
Molecular FormulaC19H18ClF3N2O2
Molecular Weight398.81 g/mol
Exact Mass398.10
IUPAC Name2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(2-chloro-4,6-dimethylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1c(C)cc(C)cc1Cl)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H18ClF3N2O2/c1-11-8-12(2)18(16(20)9-11)24-17(27)10-25(13(3)26)15-6-4-14(5-7-15)19(21,22)23/h4-9H,10H2,1-3H3,(H,24,27)
InChIKeyAZONYNIHOPSXNK-UHFFFAOYSA-N
XLogP4.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.81
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-acetamido-N-acetylanilino)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 113175984
2-(N-acetyl-3-methylanilino)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 113167577
2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 113177050
2-(N-acetyl-2,4,6-trimethylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 113170050
2-(N,4-diacetylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 113175646
2-(N-acetyl-5-chloro-2-methylanilino)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 113171939
2-(N-acetyl-3-chloro-4-fluoroanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 113172454
2-(N-acetyl-3,5-dimethylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 113168537
2-(N-acetyl-3-chloroanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 113171389
2-(N-acetyl-2-propan-2-ylanilino)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 113169688
3-(N-acetyl-4-methoxyanilino)-N-(2-chloro-4,6-dimethylphenyl)propanamide
CID 113129157
3-(N-acetyl-2,4-dimethylanilino)-N-(2-chloro-4,6-dimethylphenyl)propanamide
CID 113124231

Frequently Asked Questions

What is the IUPAC name of 2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(2-chloro-4,6-dimethylphenyl)acetamide?
The IUPAC name of 2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(2-chloro-4,6-dimethylphenyl)acetamide (CID 113175336) is 2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(2-chloro-4,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(2-chloro-4,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(2-chloro-4,6-dimethylphenyl)acetamide is CC(=O)N(CC(=O)Nc1c(C)cc(C)cc1Cl)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(2-chloro-4,6-dimethylphenyl)acetamide?
The InChIKey is AZONYNIHOPSXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF3N2O2/c1-11-8-12(2)18(16(20)9-11)24-17(27)10-25(13(3)26)15-6-4-14(5-7-15)19(21,22)23/h4-9H,10H2,1-3H3,(H,24,27).
What are the key properties of 2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(2-chloro-4,6-dimethylphenyl)acetamide?
2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(2-chloro-4,6-dimethylphenyl)acetamide has a molecular weight of 398.81 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(2-chloro-4,6-dimethylphenyl)acetamide is sourced from PubChem (CID 113175336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).