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3-[N-acetyl-4-(trifluoromethyl)anilino]-N-propan-2-ylpropanamide

C15H19F3N2O2 — CID 113130512

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-[N-acetyl-4-(trifluoromethyl)anilino]-N-propan-2-ylpropanamide
SMILESCC(=O)N(CCC(=O)NC(C)C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H19F3N2O2/c1-10(2)19-14(22)8-9-20(11(3)21)13-6-4-12(5-7-13)15(16,17)18/h4-7,10H,8-9H2,1-3H3,(H,19,22)
InChIKeyBGFYWFOOPQMTPY-UHFFFAOYSA-N
MW316.32 g/mol
LogP2.97
Rot. Bonds5

About 3-[N-acetyl-4-(trifluoromethyl)anilino]-N-propan-2-ylpropanamide

3-[N-acetyl-4-(trifluoromethyl)anilino]-N-propan-2-ylpropanamide (PubChem CID 113130512) has the molecular formula C15H19F3N2O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is 3-[N-acetyl-4-(trifluoromethyl)anilino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[N-acetyl-4-(trifluoromethyl)anilino]-N-propan-2-ylpropanamide
PubChem CID113130512
Molecular FormulaC15H19F3N2O2
Molecular Weight316.32 g/mol
Exact Mass316.14
IUPAC Name3-[N-acetyl-4-(trifluoromethyl)anilino]-N-propan-2-ylpropanamide
SMILESCC(=O)N(CCC(=O)NC(C)C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H19F3N2O2/c1-10(2)19-14(22)8-9-20(11(3)21)13-6-4-12(5-7-13)15(16,17)18/h4-7,10H,8-9H2,1-3H3,(H,19,22)
InChIKeyBGFYWFOOPQMTPY-UHFFFAOYSA-N
XLogP2.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[N-acetyl-4-(trifluoromethyl)anilino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[N-acetyl-4-(trifluoromethyl)anilino]-N-propan-2-ylpropanamide (CID 113130512) is 3-[N-acetyl-4-(trifluoromethyl)anilino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[N-acetyl-4-(trifluoromethyl)anilino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[N-acetyl-4-(trifluoromethyl)anilino]-N-propan-2-ylpropanamide is CC(=O)N(CCC(=O)NC(C)C)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-[N-acetyl-4-(trifluoromethyl)anilino]-N-propan-2-ylpropanamide?
The InChIKey is BGFYWFOOPQMTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O2/c1-10(2)19-14(22)8-9-20(11(3)21)13-6-4-12(5-7-13)15(16,17)18/h4-7,10H,8-9H2,1-3H3,(H,19,22).
What are the key properties of 3-[N-acetyl-4-(trifluoromethyl)anilino]-N-propan-2-ylpropanamide?
3-[N-acetyl-4-(trifluoromethyl)anilino]-N-propan-2-ylpropanamide has a molecular weight of 316.32 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-acetyl-4-(trifluoromethyl)anilino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 113130512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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