N-(2-formylphenyl)-2-oxo-2-[4-(trifluoromethyl)phenyl]acetamide

C16H10F3NO3 — CID 166444640

IUPACN-(2-formylphenyl)-2-oxo-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=Cc1ccccc1NC(=O)C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H10F3NO3/c17-16(18,19)12-7-5-10(6-8-12)14(22)15(23)20-13-4-2-1-3-11(13)9-21/h1-9H,(H,20,23)
InChIKeyCXZRYCLKSMJPTG-UHFFFAOYSA-N
MW321.25 g/mol
LogP3.34
Rot. Bonds4

About N-(2-formylphenyl)-2-oxo-2-[4-(trifluoromethyl)phenyl]acetamide

N-(2-formylphenyl)-2-oxo-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 166444640) has the molecular formula C16H10F3NO3 and a molecular weight of 321.25 g/mol. Its IUPAC name is N-(2-formylphenyl)-2-oxo-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-(2-formylphenyl)-2-oxo-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID166444640
Molecular FormulaC16H10F3NO3
Molecular Weight321.25 g/mol
Exact Mass321.06
IUPAC NameN-(2-formylphenyl)-2-oxo-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=Cc1ccccc1NC(=O)C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H10F3NO3/c17-16(18,19)12-7-5-10(6-8-12)14(22)15(23)20-13-4-2-1-3-11(13)9-21/h1-9H,(H,20,23)
InChIKeyCXZRYCLKSMJPTG-UHFFFAOYSA-N
XLogP3.34
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.25
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(2-formylphenyl)-2-methylprop-2-enamide
CID 154120209
N-(2-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide
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CID 161391832
CID 161391832
N-(2-benzoylphenyl)-2-oxo-2-phenylacetamide
CID 614189
N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]-4-(trifluoromethyl)benzamide
CID 108933525
3-fluoro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]phenyl]benzamide
CID 1207911
2-oxo-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 154260012
N-(2-formylphenyl)-4-nitrobenzamide
CID 142750157
N-(2-cyanophenyl)-4-(trifluoromethyl)benzamide
CID 9115538
N-(2-formylphenyl)-2-methylpropanamide
CID 54327705
2-chloro-N-(2-formylphenyl)acetamide
CID 12533349
CID 175394574
CID 175394574

Frequently Asked Questions

What is the IUPAC name of N-(2-formylphenyl)-2-oxo-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-(2-formylphenyl)-2-oxo-2-[4-(trifluoromethyl)phenyl]acetamide (CID 166444640) is N-(2-formylphenyl)-2-oxo-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-(2-formylphenyl)-2-oxo-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-(2-formylphenyl)-2-oxo-2-[4-(trifluoromethyl)phenyl]acetamide is O=Cc1ccccc1NC(=O)C(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(2-formylphenyl)-2-oxo-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is CXZRYCLKSMJPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3NO3/c17-16(18,19)12-7-5-10(6-8-12)14(22)15(23)20-13-4-2-1-3-11(13)9-21/h1-9H,(H,20,23).
What are the key properties of N-(2-formylphenyl)-2-oxo-2-[4-(trifluoromethyl)phenyl]acetamide?
N-(2-formylphenyl)-2-oxo-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 321.25 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-formylphenyl)-2-oxo-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 166444640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).