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

C19H19F3N2O2 — CID 113061443

IUPACN-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]-2-phenylacetamide
SMILESCC(=O)N(CCNC(=O)Cc1ccccc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H19F3N2O2/c1-14(25)24(17-9-5-8-16(13-17)19(20,21)22)11-10-23-18(26)12-15-6-3-2-4-7-15/h2-9,13H,10-12H2,1H3,(H,23,26)
InChIKeyGTNQTQCHLJAQQV-UHFFFAOYSA-N
MW364.37 g/mol
LogP3.42
Rot. Bonds6

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

N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]-2-phenylacetamide (PubChem CID 113061443) has the molecular formula C19H19F3N2O2 and a molecular weight of 364.37 g/mol. Its IUPAC name is N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]-2-phenylacetamide
PubChem CID113061443
Molecular FormulaC19H19F3N2O2
Molecular Weight364.37 g/mol
Exact Mass364.14
IUPAC NameN-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]-2-phenylacetamide
SMILESCC(=O)N(CCNC(=O)Cc1ccccc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H19F3N2O2/c1-14(25)24(17-9-5-8-16(13-17)19(20,21)22)11-10-23-18(26)12-15-6-3-2-4-7-15/h2-9,13H,10-12H2,1H3,(H,23,26)
InChIKeyGTNQTQCHLJAQQV-UHFFFAOYSA-N
XLogP3.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]-3-phenylpropanamide
CID 113061447
N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]-2-(2-fluorophenyl)acetamide
CID 113061457
3-[N-acetyl-3-(trifluoromethyl)anilino]-N-benzylpropanamide
CID 113130429
3-[N-acetyl-3-(trifluoromethyl)anilino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113130421
2-[N-acetyl-3-(trifluoromethyl)anilino]-N-benzylacetamide
CID 113175125
N-[2-(N-acetyl-4-tert-butylanilino)ethyl]-2-phenylacetamide
CID 113059109
ethyl N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]carbamate
CID 113061465
N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]-3-chlorobenzamide
CID 113061451
N-[2-(methanesulfonamido)ethyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113061471
N-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]-2-(4-methylphenyl)acetamide
CID 113061521
N-[2-(N-acetyl-4-bromoanilino)ethyl]-2-phenylacetamide
CID 113060356
3-[N-acetyl-3-(trifluoromethyl)anilino]-N-[(2-chlorophenyl)methyl]propanamide
CID 113130437

Frequently Asked Questions

What is the IUPAC name of N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]-2-phenylacetamide?
The IUPAC name of N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]-2-phenylacetamide (CID 113061443) is N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]-2-phenylacetamide is CC(=O)N(CCNC(=O)Cc1ccccc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]-2-phenylacetamide?
The InChIKey is GTNQTQCHLJAQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O2/c1-14(25)24(17-9-5-8-16(13-17)19(20,21)22)11-10-23-18(26)12-15-6-3-2-4-7-15/h2-9,13H,10-12H2,1H3,(H,23,26).
What are the key properties of N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]-2-phenylacetamide?
N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]-2-phenylacetamide has a molecular weight of 364.37 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]-2-phenylacetamide is sourced from PubChem (CID 113061443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).