2-acetamido-N-[3-(trifluoromethyl)phenyl]propanamide

C12H13F3N2O2 — CID 78776683

IUPAC2-acetamido-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESCC(=O)NC(C)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H13F3N2O2/c1-7(16-8(2)18)11(19)17-10-5-3-4-9(6-10)12(13,14)15/h3-7H,1-2H3,(H,16,18)(H,17,19)
InChIKeyXXHHSKPMZBKRMH-UHFFFAOYSA-N
MW274.24 g/mol
LogP2.17
Rot. Bonds3

About 2-acetamido-N-[3-(trifluoromethyl)phenyl]propanamide

2-acetamido-N-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 78776683) has the molecular formula C12H13F3N2O2 and a molecular weight of 274.24 g/mol. Its IUPAC name is 2-acetamido-N-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-acetamido-N-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID78776683
Molecular FormulaC12H13F3N2O2
Molecular Weight274.24 g/mol
Exact Mass274.09
IUPAC Name2-acetamido-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESCC(=O)NC(C)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H13F3N2O2/c1-7(16-8(2)18)11(19)17-10-5-3-4-9(6-10)12(13,14)15/h3-7H,1-2H3,(H,16,18)(H,17,19)
InChIKeyXXHHSKPMZBKRMH-UHFFFAOYSA-N
XLogP2.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(2S)-2-acetamidopropanoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 87040115
N-[(2R)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]furan-2-carboxamide
CID 42561579
2-methyl-3-sulfanyl-N-[3-(trifluoromethyl)phenyl]butanamide
CID 167244697
3-(2-acetamidopropanoylamino)benzoic acid
CID 43350881
(2S)-2-amino-3-methyl-N-[3-(trifluoromethyl)phenyl]butanamide
CID 22690700
N-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetamide
CID 970620
(2R)-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]propanoic acid
CID 78972964
(2R)-2-phenoxy-N-[3-(trifluoromethyl)phenyl]propanamide
CID 879678
2-acetamido-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 4877482
[(2S)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 3-acetamidobenzoate
CID 2636888
3-(ethylamino)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 62853406
(2S)-2-acetamido-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]propanamide
CID 95285499

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-acetamido-N-[3-(trifluoromethyl)phenyl]propanamide (CID 78776683) is 2-acetamido-N-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-acetamido-N-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-acetamido-N-[3-(trifluoromethyl)phenyl]propanamide is CC(=O)NC(C)C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-acetamido-N-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is XXHHSKPMZBKRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O2/c1-7(16-8(2)18)11(19)17-10-5-3-4-9(6-10)12(13,14)15/h3-7H,1-2H3,(H,16,18)(H,17,19).
What are the key properties of 2-acetamido-N-[3-(trifluoromethyl)phenyl]propanamide?
2-acetamido-N-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 274.24 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 78776683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).