2-[N-acetyl-2-(trifluoromethyl)anilino]-N-[2-(3-chlorophenyl)ethyl]acetamide

C19H18ClF3N2O2 — CID 113175030

IUPAC2-[N-acetyl-2-(trifluoromethyl)anilino]-N-[2-(3-chlorophenyl)ethyl]acetamide
SMILESCC(=O)N(CC(=O)NCCc1cccc(Cl)c1)c1ccccc1C(F)(F)F
InChIInChI=1S/C19H18ClF3N2O2/c1-13(26)25(17-8-3-2-7-16(17)19(21,22)23)12-18(27)24-10-9-14-5-4-6-15(20)11-14/h2-8,11H,9-10,12H2,1H3,(H,24,27)
InChIKeyMKIJGFDDMIYESZ-UHFFFAOYSA-N
MW398.81 g/mol
LogP4.07
Rot. Bonds6

About 2-[N-acetyl-2-(trifluoromethyl)anilino]-N-[2-(3-chlorophenyl)ethyl]acetamide

2-[N-acetyl-2-(trifluoromethyl)anilino]-N-[2-(3-chlorophenyl)ethyl]acetamide (PubChem CID 113175030) has the molecular formula C19H18ClF3N2O2 and a molecular weight of 398.81 g/mol. Its IUPAC name is 2-[N-acetyl-2-(trifluoromethyl)anilino]-N-[2-(3-chlorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[N-acetyl-2-(trifluoromethyl)anilino]-N-[2-(3-chlorophenyl)ethyl]acetamide
PubChem CID113175030
Molecular FormulaC19H18ClF3N2O2
Molecular Weight398.81 g/mol
Exact Mass398.10
IUPAC Name2-[N-acetyl-2-(trifluoromethyl)anilino]-N-[2-(3-chlorophenyl)ethyl]acetamide
SMILESCC(=O)N(CC(=O)NCCc1cccc(Cl)c1)c1ccccc1C(F)(F)F
InChIInChI=1S/C19H18ClF3N2O2/c1-13(26)25(17-8-3-2-7-16(17)19(21,22)23)12-18(27)24-10-9-14-5-4-6-15(20)11-14/h2-8,11H,9-10,12H2,1H3,(H,24,27)
InChIKeyMKIJGFDDMIYESZ-UHFFFAOYSA-N
XLogP4.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.81
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-acetyl-5-chloro-2-methylanilino)-N-(2-phenylethyl)acetamide
CID 113171868
2-[N-acetyl-2-(trifluoromethyl)anilino]-N-(4-chloro-2-methylphenyl)acetamide
CID 113175063
2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-(2-methoxyethyl)acetamide
CID 113179340
2-(N-acetyl-3-chloroanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113171420
2-(N-acetyl-2-fluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113170749
2-[N-acetyl-2-(trifluoromethyl)anilino]-N-phenylacetamide
CID 113175032
N-[2-oxo-2-(2-phenylethylamino)ethyl]-N-[2-(trifluoromethyl)phenyl]thiadiazole-4-carboxamide
CID 3222052
2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-(pyridin-3-ylmethyl)acetamide
CID 113179357
2-[N-acetyl-2-(trifluoromethyl)anilino]-N-(3-methylphenyl)acetamide
CID 113175034
2-(N-acetyl-3-chloroanilino)-N-(3-phenylpropyl)acetamide
CID 113171355
N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
CID 2166305
2-(N-acetyl-2-methoxyanilino)-N-(2-phenylethyl)acetamide
CID 113173145

Frequently Asked Questions

What is the IUPAC name of 2-[N-acetyl-2-(trifluoromethyl)anilino]-N-[2-(3-chlorophenyl)ethyl]acetamide?
The IUPAC name of 2-[N-acetyl-2-(trifluoromethyl)anilino]-N-[2-(3-chlorophenyl)ethyl]acetamide (CID 113175030) is 2-[N-acetyl-2-(trifluoromethyl)anilino]-N-[2-(3-chlorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[N-acetyl-2-(trifluoromethyl)anilino]-N-[2-(3-chlorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[N-acetyl-2-(trifluoromethyl)anilino]-N-[2-(3-chlorophenyl)ethyl]acetamide is CC(=O)N(CC(=O)NCCc1cccc(Cl)c1)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-[N-acetyl-2-(trifluoromethyl)anilino]-N-[2-(3-chlorophenyl)ethyl]acetamide?
The InChIKey is MKIJGFDDMIYESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF3N2O2/c1-13(26)25(17-8-3-2-7-16(17)19(21,22)23)12-18(27)24-10-9-14-5-4-6-15(20)11-14/h2-8,11H,9-10,12H2,1H3,(H,24,27).
What are the key properties of 2-[N-acetyl-2-(trifluoromethyl)anilino]-N-[2-(3-chlorophenyl)ethyl]acetamide?
2-[N-acetyl-2-(trifluoromethyl)anilino]-N-[2-(3-chlorophenyl)ethyl]acetamide has a molecular weight of 398.81 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-acetyl-2-(trifluoromethyl)anilino]-N-[2-(3-chlorophenyl)ethyl]acetamide is sourced from PubChem (CID 113175030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).