N-[3-methyl-4-(trifluoromethyl)phenyl]acetamide

C10H10F3NO — CID 100995323

IUPACN-[3-methyl-4-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(F)(F)F)c(C)c1
InChIInChI=1S/C10H10F3NO/c1-6-5-8(14-7(2)15)3-4-9(6)10(11,12)13/h3-5H,1-2H3,(H,14,15)
InChIKeyPNSZSEUBUKNUNC-UHFFFAOYSA-N
MW217.19 g/mol
LogP2.97
Rot. Bonds1

About N-[3-methyl-4-(trifluoromethyl)phenyl]acetamide

N-[3-methyl-4-(trifluoromethyl)phenyl]acetamide (PubChem CID 100995323) has the molecular formula C10H10F3NO and a molecular weight of 217.19 g/mol. Its IUPAC name is N-[3-methyl-4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-methyl-4-(trifluoromethyl)phenyl]acetamide
PubChem CID100995323
Molecular FormulaC10H10F3NO
Molecular Weight217.19 g/mol
Exact Mass217.07
IUPAC NameN-[3-methyl-4-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(F)(F)F)c(C)c1
InChIInChI=1S/C10H10F3NO/c1-6-5-8(14-7(2)15)3-4-9(6)10(11,12)13/h3-5H,1-2H3,(H,14,15)
InChIKeyPNSZSEUBUKNUNC-UHFFFAOYSA-N
XLogP2.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[3-methyl-4-(trifluoromethyl)phenyl]acetamide (CID 100995323) is N-[3-methyl-4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[3-methyl-4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[3-methyl-4-(trifluoromethyl)phenyl]acetamide is CC(=O)Nc1ccc(C(F)(F)F)c(C)c1.
What is the InChIKey of N-[3-methyl-4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is PNSZSEUBUKNUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO/c1-6-5-8(14-7(2)15)3-4-9(6)10(11,12)13/h3-5H,1-2H3,(H,14,15).
What are the key properties of N-[3-methyl-4-(trifluoromethyl)phenyl]acetamide?
N-[3-methyl-4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 217.19 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 100995323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).