2-acetamido-N-[2-propoxy-5-(trifluoromethyl)phenyl]propanamide

C15H19F3N2O3 — CID 78777880

IUPAC2-acetamido-N-[2-propoxy-5-(trifluoromethyl)phenyl]propanamide
SMILESCCCOc1ccc(C(F)(F)F)cc1NC(=O)C(C)NC(C)=O
InChIInChI=1S/C15H19F3N2O3/c1-4-7-23-13-6-5-11(15(16,17)18)8-12(13)20-14(22)9(2)19-10(3)21/h5-6,8-9H,4,7H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyCJXLSTKULSZOMZ-UHFFFAOYSA-N
MW332.32 g/mol
LogP2.96
Rot. Bonds6

About 2-acetamido-N-[2-propoxy-5-(trifluoromethyl)phenyl]propanamide

2-acetamido-N-[2-propoxy-5-(trifluoromethyl)phenyl]propanamide (PubChem CID 78777880) has the molecular formula C15H19F3N2O3 and a molecular weight of 332.32 g/mol. Its IUPAC name is 2-acetamido-N-[2-propoxy-5-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-acetamido-N-[2-propoxy-5-(trifluoromethyl)phenyl]propanamide
PubChem CID78777880
Molecular FormulaC15H19F3N2O3
Molecular Weight332.32 g/mol
Exact Mass332.13
IUPAC Name2-acetamido-N-[2-propoxy-5-(trifluoromethyl)phenyl]propanamide
SMILESCCCOc1ccc(C(F)(F)F)cc1NC(=O)C(C)NC(C)=O
InChIInChI=1S/C15H19F3N2O3/c1-4-7-23-13-6-5-11(15(16,17)18)8-12(13)20-14(22)9(2)19-10(3)21/h5-6,8-9H,4,7H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyCJXLSTKULSZOMZ-UHFFFAOYSA-N
XLogP2.96
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetamido-N-[2-propoxy-5-(trifluoromethyl)phenyl]benzamide
CID 26175480
2-chloro-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 4656638
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-methylpentanamide
CID 112765286
2-(4-fluorophenyl)sulfonyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]propanamide
CID 55811519
4-amino-N-[2-propoxy-5-(trifluoromethyl)phenyl]pentanamide;hydrochloride
CID 120558845
3,3-dimethyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]butanamide
CID 112765185
2-(2-acetamidophenoxy)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 7867264
2-methylsulfanyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 112765166
1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-propan-2-ylurea
CID 60586531
5-acetyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 36667250
2-acetamido-N-(2,5-diethoxyphenyl)propanamide
CID 78778179
4-[[2-propoxy-5-(trifluoromethyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672202

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[2-propoxy-5-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-acetamido-N-[2-propoxy-5-(trifluoromethyl)phenyl]propanamide (CID 78777880) is 2-acetamido-N-[2-propoxy-5-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-acetamido-N-[2-propoxy-5-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-acetamido-N-[2-propoxy-5-(trifluoromethyl)phenyl]propanamide is CCCOc1ccc(C(F)(F)F)cc1NC(=O)C(C)NC(C)=O.
What is the InChIKey of 2-acetamido-N-[2-propoxy-5-(trifluoromethyl)phenyl]propanamide?
The InChIKey is CJXLSTKULSZOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O3/c1-4-7-23-13-6-5-11(15(16,17)18)8-12(13)20-14(22)9(2)19-10(3)21/h5-6,8-9H,4,7H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of 2-acetamido-N-[2-propoxy-5-(trifluoromethyl)phenyl]propanamide?
2-acetamido-N-[2-propoxy-5-(trifluoromethyl)phenyl]propanamide has a molecular weight of 332.32 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[2-propoxy-5-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 78777880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).