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

C19H19F3N2O2 — CID 113061372

IUPACN-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]-2-methylbenzamide
SMILESCC(=O)N(CCNC(=O)c1ccccc1C)c1ccccc1C(F)(F)F
InChIInChI=1S/C19H19F3N2O2/c1-13-7-3-4-8-15(13)18(26)23-11-12-24(14(2)25)17-10-6-5-9-16(17)19(20,21)22/h3-10H,11-12H2,1-2H3,(H,23,26)
InChIKeyWZKJJNSKZQMLQN-UHFFFAOYSA-N
MW364.37 g/mol
LogP3.80
Rot. Bonds5

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

N-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]-2-methylbenzamide (PubChem CID 113061372) has the molecular formula C19H19F3N2O2 and a molecular weight of 364.37 g/mol. Its IUPAC name is N-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]-2-methylbenzamide
PubChem CID113061372
Molecular FormulaC19H19F3N2O2
Molecular Weight364.37 g/mol
Exact Mass364.14
IUPAC NameN-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]-2-methylbenzamide
SMILESCC(=O)N(CCNC(=O)c1ccccc1C)c1ccccc1C(F)(F)F
InChIInChI=1S/C19H19F3N2O2/c1-13-7-3-4-8-15(13)18(26)23-11-12-24(14(2)25)17-10-6-5-9-16(17)19(20,21)22/h3-10H,11-12H2,1-2H3,(H,23,26)
InChIKeyWZKJJNSKZQMLQN-UHFFFAOYSA-N
XLogP3.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]-2-methoxybenzamide
CID 113061378
N-[2-(N-acetyl-2-methylanilino)ethyl]-2-fluorobenzamide
CID 113057297
N-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]furan-2-carboxamide
CID 113061369
N-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]pentanamide
CID 113061363
N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-2-methylbenzamide
CID 113059807
N-[2-(N-acetyl-2-tert-butylanilino)ethyl]-2-(2-methylphenyl)acetamide
CID 113059053
N-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]oxolane-2-carboxamide
CID 113061366
3-[N-acetyl-2-(trifluoromethyl)anilino]-N-pentylpropanamide
CID 113130349
N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]-2-fluorobenzamide
CID 113059896
N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-2-chlorobenzamide
CID 113059832
3-[N-acetyl-2-(trifluoromethyl)anilino]-N-(2,4,6-trimethylphenyl)propanamide
CID 113130374
2-methyl-N-[3-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-3-oxopropyl]benzamide
CID 55549814

Frequently Asked Questions

What is the IUPAC name of N-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]-2-methylbenzamide?
The IUPAC name of N-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]-2-methylbenzamide (CID 113061372) is N-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]-2-methylbenzamide.
What is the SMILES notation for N-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]-2-methylbenzamide?
The canonical SMILES for N-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]-2-methylbenzamide is CC(=O)N(CCNC(=O)c1ccccc1C)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]-2-methylbenzamide?
The InChIKey is WZKJJNSKZQMLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O2/c1-13-7-3-4-8-15(13)18(26)23-11-12-24(14(2)25)17-10-6-5-9-16(17)19(20,21)22/h3-10H,11-12H2,1-2H3,(H,23,26).
What are the key properties of N-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]-2-methylbenzamide?
N-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]-2-methylbenzamide has a molecular weight of 364.37 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]-2-methylbenzamide is sourced from PubChem (CID 113061372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).