3-acetamido-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-4-methylbenzamide

C19H19F3N2O3 — CID 137362070

IUPAC3-acetamido-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-4-methylbenzamide
SMILESCOc1ccc(CNC(=O)c2ccc(C)c(NC(C)=O)c2)c(C(F)(F)F)c1
InChIInChI=1S/C19H19F3N2O3/c1-11-4-5-13(8-17(11)24-12(2)25)18(26)23-10-14-6-7-15(27-3)9-16(14)19(20,21)22/h4-9H,10H2,1-3H3,(H,23,26)(H,24,25)
InChIKeySAOCLSOUURWRNN-UHFFFAOYSA-N
MW380.37 g/mol
LogP3.91
Rot. Bonds5

About 3-acetamido-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-4-methylbenzamide

3-acetamido-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-4-methylbenzamide (PubChem CID 137362070) has the molecular formula C19H19F3N2O3 and a molecular weight of 380.37 g/mol. Its IUPAC name is 3-acetamido-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-acetamido-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-4-methylbenzamide
PubChem CID137362070
Molecular FormulaC19H19F3N2O3
Molecular Weight380.37 g/mol
Exact Mass380.13
IUPAC Name3-acetamido-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-4-methylbenzamide
SMILESCOc1ccc(CNC(=O)c2ccc(C)c(NC(C)=O)c2)c(C(F)(F)F)c1
InChIInChI=1S/C19H19F3N2O3/c1-11-4-5-13(8-17(11)24-12(2)25)18(26)23-10-14-6-7-15(27-3)9-16(14)19(20,21)22/h4-9H,10H2,1-3H3,(H,23,26)(H,24,25)
InChIKeySAOCLSOUURWRNN-UHFFFAOYSA-N
XLogP3.91
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-4-methylbenzamide?
The IUPAC name of 3-acetamido-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-4-methylbenzamide (CID 137362070) is 3-acetamido-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-4-methylbenzamide.
What is the SMILES notation for 3-acetamido-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-4-methylbenzamide?
The canonical SMILES for 3-acetamido-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-4-methylbenzamide is COc1ccc(CNC(=O)c2ccc(C)c(NC(C)=O)c2)c(C(F)(F)F)c1.
What is the InChIKey of 3-acetamido-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-4-methylbenzamide?
The InChIKey is SAOCLSOUURWRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O3/c1-11-4-5-13(8-17(11)24-12(2)25)18(26)23-10-14-6-7-15(27-3)9-16(14)19(20,21)22/h4-9H,10H2,1-3H3,(H,23,26)(H,24,25).
What are the key properties of 3-acetamido-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-4-methylbenzamide?
3-acetamido-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-4-methylbenzamide has a molecular weight of 380.37 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-4-methylbenzamide is sourced from PubChem (CID 137362070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).