2-[acetyl(propan-2-yl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide

C14H17F3N2O2 — CID 113158240

IUPAC2-[acetyl(propan-2-yl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(C(F)(F)F)cc1)C(C)C
InChIInChI=1S/C14H17F3N2O2/c1-9(2)19(10(3)20)8-13(21)18-12-6-4-11(5-7-12)14(15,16)17/h4-7,9H,8H2,1-3H3,(H,18,21)
InChIKeyUCEZSICJJNOLNG-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.90
Rot. Bonds4

About 2-[acetyl(propan-2-yl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide

2-[acetyl(propan-2-yl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 113158240) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 2-[acetyl(propan-2-yl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[acetyl(propan-2-yl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID113158240
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name2-[acetyl(propan-2-yl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(C(F)(F)F)cc1)C(C)C
InChIInChI=1S/C14H17F3N2O2/c1-9(2)19(10(3)20)8-13(21)18-12-6-4-11(5-7-12)14(15,16)17/h4-7,9H,8H2,1-3H3,(H,18,21)
InChIKeyUCEZSICJJNOLNG-UHFFFAOYSA-N
XLogP2.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[acetyl(propan-2-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113158239
2-(dipropylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 109006608
2-(N-acetyl-2,4,6-trimethylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 113170050
2-[(4-fluorophenyl)methyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 9251999
2-[ethyl(2-methylprop-2-enyl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 78787473
2-propan-2-yloxy-N-[4-(trifluoromethyl)phenyl]acetamide
CID 112686648
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-4-(trifluoromethyl)benzamide
CID 8503139
2-[N-(dimethylsulfamoyl)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 15991423
N-(4-acetamidophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51271866
2-(dimethylamino)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 17496516
1-(2-hydroxypropyl)-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
CID 62333331
N-(2-methylpropyl)-N'-[4-(trifluoromethyl)phenyl]propanediamide
CID 108941680

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(propan-2-yl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[acetyl(propan-2-yl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide (CID 113158240) is 2-[acetyl(propan-2-yl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[acetyl(propan-2-yl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[acetyl(propan-2-yl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide is CC(=O)N(CC(=O)Nc1ccc(C(F)(F)F)cc1)C(C)C.
What is the InChIKey of 2-[acetyl(propan-2-yl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is UCEZSICJJNOLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c1-9(2)19(10(3)20)8-13(21)18-12-6-4-11(5-7-12)14(15,16)17/h4-7,9H,8H2,1-3H3,(H,18,21).
What are the key properties of 2-[acetyl(propan-2-yl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide?
2-[acetyl(propan-2-yl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 302.30 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(propan-2-yl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 113158240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).