N-[2-(3,3-dimethyl-2-phenylcyclobuten-1-yl)-4-(trifluoromethyl)phenyl]acetamide

C21H20F3NO — CID 166063893

IUPACN-[2-(3,3-dimethyl-2-phenylcyclobuten-1-yl)-4-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(F)(F)F)cc1C1=C(c2ccccc2)C(C)(C)C1
InChIInChI=1S/C21H20F3NO/c1-13(26)25-18-10-9-15(21(22,23)24)11-16(18)17-12-20(2,3)19(17)14-7-5-4-6-8-14/h4-11H,12H2,1-3H3,(H,25,26)
InChIKeyWCZSCEGJSUUJJU-UHFFFAOYSA-N
MW359.39 g/mol
LogP6.00
Rot. Bonds3

About N-[2-(3,3-dimethyl-2-phenylcyclobuten-1-yl)-4-(trifluoromethyl)phenyl]acetamide

N-[2-(3,3-dimethyl-2-phenylcyclobuten-1-yl)-4-(trifluoromethyl)phenyl]acetamide (PubChem CID 166063893) has the molecular formula C21H20F3NO and a molecular weight of 359.39 g/mol. Its IUPAC name is N-[2-(3,3-dimethyl-2-phenylcyclobuten-1-yl)-4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-(3,3-dimethyl-2-phenylcyclobuten-1-yl)-4-(trifluoromethyl)phenyl]acetamide
PubChem CID166063893
Molecular FormulaC21H20F3NO
Molecular Weight359.39 g/mol
Exact Mass359.15
IUPAC NameN-[2-(3,3-dimethyl-2-phenylcyclobuten-1-yl)-4-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(F)(F)F)cc1C1=C(c2ccccc2)C(C)(C)C1
InChIInChI=1S/C21H20F3NO/c1-13(26)25-18-10-9-15(21(22,23)24)11-16(18)17-12-20(2,3)19(17)14-7-5-4-6-8-14/h4-11H,12H2,1-3H3,(H,25,26)
InChIKeyWCZSCEGJSUUJJU-UHFFFAOYSA-N
XLogP6.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.39
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,3-dimethyl-2-phenylcyclobuten-1-yl)-4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[2-(3,3-dimethyl-2-phenylcyclobuten-1-yl)-4-(trifluoromethyl)phenyl]acetamide (CID 166063893) is N-[2-(3,3-dimethyl-2-phenylcyclobuten-1-yl)-4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[2-(3,3-dimethyl-2-phenylcyclobuten-1-yl)-4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[2-(3,3-dimethyl-2-phenylcyclobuten-1-yl)-4-(trifluoromethyl)phenyl]acetamide is CC(=O)Nc1ccc(C(F)(F)F)cc1C1=C(c2ccccc2)C(C)(C)C1.
What is the InChIKey of N-[2-(3,3-dimethyl-2-phenylcyclobuten-1-yl)-4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is WCZSCEGJSUUJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3NO/c1-13(26)25-18-10-9-15(21(22,23)24)11-16(18)17-12-20(2,3)19(17)14-7-5-4-6-8-14/h4-11H,12H2,1-3H3,(H,25,26).
What are the key properties of N-[2-(3,3-dimethyl-2-phenylcyclobuten-1-yl)-4-(trifluoromethyl)phenyl]acetamide?
N-[2-(3,3-dimethyl-2-phenylcyclobuten-1-yl)-4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 359.39 g/mol, XLogP of 6.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,3-dimethyl-2-phenylcyclobuten-1-yl)-4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 166063893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).