N-(2-methylcyclobuten-1-yl)-2-(trifluoromethyl)benzamide

C13H12F3NO — CID 123675503

IUPACN-(2-methylcyclobuten-1-yl)-2-(trifluoromethyl)benzamide
SMILESCC1=C(NC(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C13H12F3NO/c1-8-6-7-11(8)17-12(18)9-4-2-3-5-10(9)13(14,15)16/h2-5H,6-7H2,1H3,(H,17,18)
InChIKeySRNTVQKKVJJNRM-UHFFFAOYSA-N
MW255.24 g/mol
LogP3.50
Rot. Bonds2

About N-(2-methylcyclobuten-1-yl)-2-(trifluoromethyl)benzamide

N-(2-methylcyclobuten-1-yl)-2-(trifluoromethyl)benzamide (PubChem CID 123675503) has the molecular formula C13H12F3NO and a molecular weight of 255.24 g/mol. Its IUPAC name is N-(2-methylcyclobuten-1-yl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2-methylcyclobuten-1-yl)-2-(trifluoromethyl)benzamide
PubChem CID123675503
Molecular FormulaC13H12F3NO
Molecular Weight255.24 g/mol
Exact Mass255.09
IUPAC NameN-(2-methylcyclobuten-1-yl)-2-(trifluoromethyl)benzamide
SMILESCC1=C(NC(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C13H12F3NO/c1-8-6-7-11(8)17-12(18)9-4-2-3-5-10(9)13(14,15)16/h2-5H,6-7H2,1H3,(H,17,18)
InChIKeySRNTVQKKVJJNRM-UHFFFAOYSA-N
XLogP3.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclobuten-1-yl)-2-(trifluoromethyl)benzamide?
The IUPAC name of N-(2-methylcyclobuten-1-yl)-2-(trifluoromethyl)benzamide (CID 123675503) is N-(2-methylcyclobuten-1-yl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2-methylcyclobuten-1-yl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2-methylcyclobuten-1-yl)-2-(trifluoromethyl)benzamide is CC1=C(NC(=O)c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of N-(2-methylcyclobuten-1-yl)-2-(trifluoromethyl)benzamide?
The InChIKey is SRNTVQKKVJJNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO/c1-8-6-7-11(8)17-12(18)9-4-2-3-5-10(9)13(14,15)16/h2-5H,6-7H2,1H3,(H,17,18).
What are the key properties of N-(2-methylcyclobuten-1-yl)-2-(trifluoromethyl)benzamide?
N-(2-methylcyclobuten-1-yl)-2-(trifluoromethyl)benzamide has a molecular weight of 255.24 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclobuten-1-yl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 123675503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).