2-[acetyl-[(3-methylphenyl)methyl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide

C19H19F3N2O2 — CID 113161689

IUPAC2-[acetyl-[(3-methylphenyl)methyl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(C(F)(F)F)cc1)Cc1cccc(C)c1
InChIInChI=1S/C19H19F3N2O2/c1-13-4-3-5-15(10-13)11-24(14(2)25)12-18(26)23-17-8-6-16(7-9-17)19(20,21)22/h3-10H,11-12H2,1-2H3,(H,23,26)
InChIKeyZDAVAETXEZOISY-UHFFFAOYSA-N
MW364.37 g/mol
LogP4.00
Rot. Bonds5

About 2-[acetyl-[(3-methylphenyl)methyl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide

2-[acetyl-[(3-methylphenyl)methyl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 113161689) has the molecular formula C19H19F3N2O2 and a molecular weight of 364.37 g/mol. Its IUPAC name is 2-[acetyl-[(3-methylphenyl)methyl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[acetyl-[(3-methylphenyl)methyl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID113161689
Molecular FormulaC19H19F3N2O2
Molecular Weight364.37 g/mol
Exact Mass364.14
IUPAC Name2-[acetyl-[(3-methylphenyl)methyl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(C(F)(F)F)cc1)Cc1cccc(C)c1
InChIInChI=1S/C19H19F3N2O2/c1-13-4-3-5-15(10-13)11-24(14(2)25)12-18(26)23-17-8-6-16(7-9-17)19(20,21)22/h3-10H,11-12H2,1-2H3,(H,23,26)
InChIKeyZDAVAETXEZOISY-UHFFFAOYSA-N
XLogP4.00
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 ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[acetyl-[(3-methylphenyl)methyl]amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 113161698
2-[acetyl(furan-2-ylmethyl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 113161103
2-[acetyl-[(3-methylphenyl)methyl]amino]-N-propan-2-ylacetamide
CID 113161549
2-[acetyl-[(3-methylphenyl)methyl]amino]-N-(3-chloro-2-methylphenyl)acetamide
CID 113161666
N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-2-(3-methylphenyl)acetamide
CID 71985828
3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(3-methylphenyl)propanamide
CID 113118627
2-(N-acetyl-2,4,6-trimethylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 113170050
2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 113164436
2-[acetyl(pyridin-3-ylmethyl)amino]-N-(4-methylphenyl)acetamide
CID 113163640
2-[acetyl(1,3-benzodioxol-5-ylmethyl)amino]-N-(4-tert-butylphenyl)acetamide
CID 113163288
2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 126072956
1-[(3-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]thiourea
CID 100627942

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[(3-methylphenyl)methyl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[acetyl-[(3-methylphenyl)methyl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide (CID 113161689) is 2-[acetyl-[(3-methylphenyl)methyl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[acetyl-[(3-methylphenyl)methyl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[acetyl-[(3-methylphenyl)methyl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide is CC(=O)N(CC(=O)Nc1ccc(C(F)(F)F)cc1)Cc1cccc(C)c1.
What is the InChIKey of 2-[acetyl-[(3-methylphenyl)methyl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is ZDAVAETXEZOISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O2/c1-13-4-3-5-15(10-13)11-24(14(2)25)12-18(26)23-17-8-6-16(7-9-17)19(20,21)22/h3-10H,11-12H2,1-2H3,(H,23,26).
What are the key properties of 2-[acetyl-[(3-methylphenyl)methyl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide?
2-[acetyl-[(3-methylphenyl)methyl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 364.37 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[(3-methylphenyl)methyl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 113161689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).