N-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]-2-methoxybenzamide

C19H19F3N2O3 — CID 113061378

IUPACN-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCCN(C(C)=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C19H19F3N2O3/c1-13(25)24(16-9-5-4-8-15(16)19(20,21)22)12-11-23-18(26)14-7-3-6-10-17(14)27-2/h3-10H,11-12H2,1-2H3,(H,23,26)
InChIKeyANWIOAYHRWTXPJ-UHFFFAOYSA-N
MW380.37 g/mol
LogP3.50
Rot. Bonds6

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

N-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]-2-methoxybenzamide (PubChem CID 113061378) has the molecular formula C19H19F3N2O3 and a molecular weight of 380.37 g/mol. Its IUPAC name is N-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]-2-methoxybenzamide
PubChem CID113061378
Molecular FormulaC19H19F3N2O3
Molecular Weight380.37 g/mol
Exact Mass380.13
IUPAC NameN-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCCN(C(C)=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C19H19F3N2O3/c1-13(25)24(16-9-5-4-8-15(16)19(20,21)22)12-11-23-18(26)14-7-3-6-10-17(14)27-2/h3-10H,11-12H2,1-2H3,(H,23,26)
InChIKeyANWIOAYHRWTXPJ-UHFFFAOYSA-N
XLogP3.50
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]-2-methylbenzamide
CID 113061372
N-[2-(N-acetyl-2,3,4-trifluoroanilino)ethyl]-2-methoxybenzamide
CID 113064434
N-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]furan-2-carboxamide
CID 113061369
N-[2-(N-acetyl-4-chloroanilino)ethyl]-2-methoxybenzamide
CID 113059627
N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-2-methoxybenzamide
CID 113064615
N-[2-(N-acetyl-2-fluoroanilino)ethyl]-2,6-dimethoxybenzamide
CID 113059182
N-[2-(N-acetyl-2-methoxyanilino)ethyl]-4-tert-butylbenzamide
CID 113060452
N-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]pentanamide
CID 113061363
N-[2-(N-acetyl-4-cyanoanilino)ethyl]-2-methoxybenzamide
CID 113064327
methyl N-[2-(N-acetyl-2-methoxyanilino)ethyl]carbamate
CID 113060483
N-[2-[acetyl-[(4-fluorophenyl)methyl]amino]ethyl]-2-methoxybenzamide
CID 113054651
N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]ethyl]-2-methoxybenzamide
CID 113053530

Frequently Asked Questions

What is the IUPAC name of N-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]-2-methoxybenzamide?
The IUPAC name of N-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]-2-methoxybenzamide (CID 113061378) is N-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]-2-methoxybenzamide?
The canonical SMILES for N-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]-2-methoxybenzamide is COc1ccccc1C(=O)NCCN(C(C)=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]-2-methoxybenzamide?
The InChIKey is ANWIOAYHRWTXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O3/c1-13(25)24(16-9-5-4-8-15(16)19(20,21)22)12-11-23-18(26)14-7-3-6-10-17(14)27-2/h3-10H,11-12H2,1-2H3,(H,23,26).
What are the key properties of N-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]-2-methoxybenzamide?
N-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]-2-methoxybenzamide has a molecular weight of 380.37 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]-2-methoxybenzamide is sourced from PubChem (CID 113061378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).