N-(4-acetamidophenyl)-4,4,4-trifluoro-3-oxobutanamide

C12H11F3N2O3 — CID 22279321

IUPACN-(4-acetamidophenyl)-4,4,4-trifluoro-3-oxobutanamide
SMILESCC(=O)Nc1ccc(NC(=O)CC(=O)C(F)(F)F)cc1
InChIInChI=1S/C12H11F3N2O3/c1-7(18)16-8-2-4-9(5-3-8)17-11(20)6-10(19)12(13,14)15/h2-5H,6H2,1H3,(H,16,18)(H,17,20)
InChIKeyNFNNRTCZNFBJFH-UHFFFAOYSA-N
MW288.23 g/mol
LogP2.11
Rot. Bonds4

About N-(4-acetamidophenyl)-4,4,4-trifluoro-3-oxobutanamide

N-(4-acetamidophenyl)-4,4,4-trifluoro-3-oxobutanamide (PubChem CID 22279321) has the molecular formula C12H11F3N2O3 and a molecular weight of 288.23 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-4,4,4-trifluoro-3-oxobutanamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-4,4,4-trifluoro-3-oxobutanamide
PubChem CID22279321
Molecular FormulaC12H11F3N2O3
Molecular Weight288.23 g/mol
Exact Mass288.07
IUPAC NameN-(4-acetamidophenyl)-4,4,4-trifluoro-3-oxobutanamide
SMILESCC(=O)Nc1ccc(NC(=O)CC(=O)C(F)(F)F)cc1
InChIInChI=1S/C12H11F3N2O3/c1-7(18)16-8-2-4-9(5-3-8)17-11(20)6-10(19)12(13,14)15/h2-5H,6H2,1H3,(H,16,18)(H,17,20)
InChIKeyNFNNRTCZNFBJFH-UHFFFAOYSA-N
XLogP2.11
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.23
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-(4-acetamidoanilino)-3-oxopropanoic acid
CID 55049633
N-(4-acetamidophenyl)-3-aminopropanamide
CID 22692055
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CID 108956176
N-(4-acetamidophenyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108956034
N-(4-acetamidophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51271866
4,4,4-trifluoro-N-(3-fluorophenyl)-3-oxobutanamide
CID 11391010
N-(4-acetamidophenyl)hexanamide
CID 4953736
N-(4-aminophenyl)-9,9,9-trifluoro-8-oxononanamide
CID 70069905
N-[4-[3-(2,2,2-trifluoroethoxy)propylamino]phenyl]acetamide
CID 61491158
2-(4-acetamidophenyl)-N-[3,5-bis(trifluoromethyl)phenyl]acetamide
CID 9207196
molecular nitrogen;N-[4-(trifluoromethyl)phenyl]acetamide
CID 175275825
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CID 9263287

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-4,4,4-trifluoro-3-oxobutanamide?
The IUPAC name of N-(4-acetamidophenyl)-4,4,4-trifluoro-3-oxobutanamide (CID 22279321) is N-(4-acetamidophenyl)-4,4,4-trifluoro-3-oxobutanamide.
What is the SMILES notation for N-(4-acetamidophenyl)-4,4,4-trifluoro-3-oxobutanamide?
The canonical SMILES for N-(4-acetamidophenyl)-4,4,4-trifluoro-3-oxobutanamide is CC(=O)Nc1ccc(NC(=O)CC(=O)C(F)(F)F)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-4,4,4-trifluoro-3-oxobutanamide?
The InChIKey is NFNNRTCZNFBJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O3/c1-7(18)16-8-2-4-9(5-3-8)17-11(20)6-10(19)12(13,14)15/h2-5H,6H2,1H3,(H,16,18)(H,17,20).
What are the key properties of N-(4-acetamidophenyl)-4,4,4-trifluoro-3-oxobutanamide?
N-(4-acetamidophenyl)-4,4,4-trifluoro-3-oxobutanamide has a molecular weight of 288.23 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-4,4,4-trifluoro-3-oxobutanamide is sourced from PubChem (CID 22279321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).