N-[3-formyl-5-(trifluoromethyl)phenyl]acetamide

C10H8F3NO2 — CID 59569810

IUPACN-[3-formyl-5-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1cc(C=O)cc(C(F)(F)F)c1
InChIInChI=1S/C10H8F3NO2/c1-6(16)14-9-3-7(5-15)2-8(4-9)10(11,12)13/h2-5H,1H3,(H,14,16)
InChIKeyXAWFKFNVXBBHPZ-UHFFFAOYSA-N
MW231.17 g/mol
LogP2.48
Rot. Bonds2

About N-[3-formyl-5-(trifluoromethyl)phenyl]acetamide

N-[3-formyl-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 59569810) has the molecular formula C10H8F3NO2 and a molecular weight of 231.17 g/mol. Its IUPAC name is N-[3-formyl-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-formyl-5-(trifluoromethyl)phenyl]acetamide
PubChem CID59569810
Molecular FormulaC10H8F3NO2
Molecular Weight231.17 g/mol
Exact Mass231.05
IUPAC NameN-[3-formyl-5-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1cc(C=O)cc(C(F)(F)F)c1
InChIInChI=1S/C10H8F3NO2/c1-6(16)14-9-3-7(5-15)2-8(4-9)10(11,12)13/h2-5H,1H3,(H,14,16)
InChIKeyXAWFKFNVXBBHPZ-UHFFFAOYSA-N
XLogP2.48
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.17
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-acetamidophenyl)-N-[3,5-bis(trifluoromethyl)phenyl]acetamide
CID 9207196
3-acetamido-N-(2-amino-2-methylpropyl)-5-(trifluoromethyl)benzamide;hydrochloride
CID 119628226
3-acetamido-N-methylsulfonyl-5-(trifluoromethyl)benzamide
CID 154810388
5-acetamido-N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxybenzamide
CID 71554885
3-bromo-5-(trifluoromethyl)benzaldehyde;N,2-dimethylpropan-2-amine
CID 144724525
N-(4-acetamidophenyl)-3,5-bis(trifluoromethyl)benzamide
CID 4842174
N-(3,5-diacetamidophenyl)acetamide
CID 12731559
molecular nitrogen;N-[4-(trifluoromethyl)phenyl]acetamide
CID 175275825
N-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetamide
CID 970620
N-[3-[[carbamoyl(methyl)amino]carbamoyl]-5-(trifluoromethyl)phenyl]acetamide
CID 75398204
1-(3-formylphenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 87362484
N-[3-bromo-5-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide
CID 103430139

Frequently Asked Questions

What is the IUPAC name of N-[3-formyl-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[3-formyl-5-(trifluoromethyl)phenyl]acetamide (CID 59569810) is N-[3-formyl-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[3-formyl-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[3-formyl-5-(trifluoromethyl)phenyl]acetamide is CC(=O)Nc1cc(C=O)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3-formyl-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is XAWFKFNVXBBHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NO2/c1-6(16)14-9-3-7(5-15)2-8(4-9)10(11,12)13/h2-5H,1H3,(H,14,16).
What are the key properties of N-[3-formyl-5-(trifluoromethyl)phenyl]acetamide?
N-[3-formyl-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 231.17 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-formyl-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 59569810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).