N-(1-phenylcyclobutyl)-3-(trifluoromethyl)benzamide

C18H16F3NO — CID 9117147

IUPACN-(1-phenylcyclobutyl)-3-(trifluoromethyl)benzamide
SMILESO=C(NC1(c2ccccc2)CCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H16F3NO/c19-18(20,21)15-9-4-6-13(12-15)16(23)22-17(10-5-11-17)14-7-2-1-3-8-14/h1-4,6-9,12H,5,10-11H2,(H,22,23)
InChIKeyDOMPLCTWRYWVGX-UHFFFAOYSA-N
MW319.33 g/mol
LogP4.51
Rot. Bonds3

About N-(1-phenylcyclobutyl)-3-(trifluoromethyl)benzamide

N-(1-phenylcyclobutyl)-3-(trifluoromethyl)benzamide (PubChem CID 9117147) has the molecular formula C18H16F3NO and a molecular weight of 319.33 g/mol. Its IUPAC name is N-(1-phenylcyclobutyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(1-phenylcyclobutyl)-3-(trifluoromethyl)benzamide
PubChem CID9117147
Molecular FormulaC18H16F3NO
Molecular Weight319.33 g/mol
Exact Mass319.12
IUPAC NameN-(1-phenylcyclobutyl)-3-(trifluoromethyl)benzamide
SMILESO=C(NC1(c2ccccc2)CCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H16F3NO/c19-18(20,21)15-9-4-6-13(12-15)16(23)22-17(10-5-11-17)14-7-2-1-3-8-14/h1-4,6-9,12H,5,10-11H2,(H,22,23)
InChIKeyDOMPLCTWRYWVGX-UHFFFAOYSA-N
XLogP4.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(1-phenylcyclobutyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(1-phenylcyclobutyl)-3-(trifluoromethyl)benzamide (CID 9117147) is N-(1-phenylcyclobutyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(1-phenylcyclobutyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(1-phenylcyclobutyl)-3-(trifluoromethyl)benzamide is O=C(NC1(c2ccccc2)CCC1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(1-phenylcyclobutyl)-3-(trifluoromethyl)benzamide?
The InChIKey is DOMPLCTWRYWVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3NO/c19-18(20,21)15-9-4-6-13(12-15)16(23)22-17(10-5-11-17)14-7-2-1-3-8-14/h1-4,6-9,12H,5,10-11H2,(H,22,23).
What are the key properties of N-(1-phenylcyclobutyl)-3-(trifluoromethyl)benzamide?
N-(1-phenylcyclobutyl)-3-(trifluoromethyl)benzamide has a molecular weight of 319.33 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylcyclobutyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 9117147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).