N-(2,6-difluorophenyl)-1-phenylcyclobutane-1-carboxamide

C17H15F2NO — CID 110438554

IUPACN-(2,6-difluorophenyl)-1-phenylcyclobutane-1-carboxamide
SMILESO=C(Nc1c(F)cccc1F)C1(c2ccccc2)CCC1
InChIInChI=1S/C17H15F2NO/c18-13-8-4-9-14(19)15(13)20-16(21)17(10-5-11-17)12-6-2-1-3-7-12/h1-4,6-9H,5,10-11H2,(H,20,21)
InChIKeyVUWBZGMFJDOZNG-UHFFFAOYSA-N
MW287.31 g/mol
LogP4.03
Rot. Bonds3

About N-(2,6-difluorophenyl)-1-phenylcyclobutane-1-carboxamide

N-(2,6-difluorophenyl)-1-phenylcyclobutane-1-carboxamide (PubChem CID 110438554) has the molecular formula C17H15F2NO and a molecular weight of 287.31 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-1-phenylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-1-phenylcyclobutane-1-carboxamide
PubChem CID110438554
Molecular FormulaC17H15F2NO
Molecular Weight287.31 g/mol
Exact Mass287.11
IUPAC NameN-(2,6-difluorophenyl)-1-phenylcyclobutane-1-carboxamide
SMILESO=C(Nc1c(F)cccc1F)C1(c2ccccc2)CCC1
InChIInChI=1S/C17H15F2NO/c18-13-8-4-9-14(19)15(13)20-16(21)17(10-5-11-17)12-6-2-1-3-7-12/h1-4,6-9H,5,10-11H2,(H,20,21)
InChIKeyVUWBZGMFJDOZNG-UHFFFAOYSA-N
XLogP4.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,6-difluorophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 110439228
N-(2-fluoro-4-hydroxyphenyl)-1-phenylcyclopropane-1-carboxamide
CID 64786881
N-(3,4-difluorophenyl)-1-phenylcyclopentane-1-carboxamide
CID 4646133
1-(aminomethyl)-N-(2,6-difluorophenyl)cyclobutane-1-carboxamide
CID 80587976
N-naphthalen-1-yl-1-phenylcyclobutane-1-carboxamide
CID 32618502
N-(2-chloro-6-methylphenyl)-1-phenylcyclopentane-1-carboxamide
CID 4060747
(2,3-difluorophenyl)-(1-phenylcyclopentyl)methanone
CID 63990466
N-(2,6-difluorophenyl)-1-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 110439004
1-(2,6-difluorophenyl)-3-[(1-phenylcyclopropyl)methyl]urea
CID 113213951
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-phenylcyclobutane-1-carboxamide
CID 120883808
N-[4-chloro-2-(trifluoromethyl)phenyl]-1-phenylcyclopentane-1-carboxamide
CID 4135962
N-(2-aminoethyl)-1-phenylcyclobutane-1-carboxamide;hydrochloride
CID 119383117

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-1-phenylcyclobutane-1-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-1-phenylcyclobutane-1-carboxamide (CID 110438554) is N-(2,6-difluorophenyl)-1-phenylcyclobutane-1-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-1-phenylcyclobutane-1-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-1-phenylcyclobutane-1-carboxamide is O=C(Nc1c(F)cccc1F)C1(c2ccccc2)CCC1.
What is the InChIKey of N-(2,6-difluorophenyl)-1-phenylcyclobutane-1-carboxamide?
The InChIKey is VUWBZGMFJDOZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO/c18-13-8-4-9-14(19)15(13)20-16(21)17(10-5-11-17)12-6-2-1-3-7-12/h1-4,6-9H,5,10-11H2,(H,20,21).
What are the key properties of N-(2,6-difluorophenyl)-1-phenylcyclobutane-1-carboxamide?
N-(2,6-difluorophenyl)-1-phenylcyclobutane-1-carboxamide has a molecular weight of 287.31 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-1-phenylcyclobutane-1-carboxamide is sourced from PubChem (CID 110438554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).