N-(2,6-difluorophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide

C17H14F3NO — CID 110439228

IUPACN-(2,6-difluorophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
SMILESO=C(Nc1c(F)cccc1F)C1(c2ccc(F)cc2)CCC1
InChIInChI=1S/C17H14F3NO/c18-12-7-5-11(6-8-12)17(9-2-10-17)16(22)21-15-13(19)3-1-4-14(15)20/h1,3-8H,2,9-10H2,(H,21,22)
InChIKeyCVNNUNGXNDGNBS-UHFFFAOYSA-N
MW305.30 g/mol
LogP4.16
Rot. Bonds3

About N-(2,6-difluorophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide

N-(2,6-difluorophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide (PubChem CID 110439228) has the molecular formula C17H14F3NO and a molecular weight of 305.30 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
PubChem CID110439228
Molecular FormulaC17H14F3NO
Molecular Weight305.30 g/mol
Exact Mass305.10
IUPAC NameN-(2,6-difluorophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
SMILESO=C(Nc1c(F)cccc1F)C1(c2ccc(F)cc2)CCC1
InChIInChI=1S/C17H14F3NO/c18-12-7-5-11(6-8-12)17(9-2-10-17)16(22)21-15-13(19)3-1-4-14(15)20/h1,3-8H,2,9-10H2,(H,21,22)
InChIKeyCVNNUNGXNDGNBS-UHFFFAOYSA-N
XLogP4.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,6-difluorophenyl)-1-phenylcyclobutane-1-carboxamide
CID 110438554
N-(5-chloro-2-fluorophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 134022500
N-(3-acetylphenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 110439190
N-(4-bromophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 110439174
N-(3-ethynylphenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 46535412
N-(2,6-difluorophenyl)-1-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 110439004
1-(aminomethyl)-N-(2,6-difluorophenyl)cyclobutane-1-carboxamide
CID 80587976
1-(4-fluorophenyl)-N-[4-(2-methylpropanoylamino)phenyl]cyclobutane-1-carboxamide
CID 55539101
N-(2-chloro-4-methylphenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 134017760
N-(4-chloro-2-fluorophenyl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 134002638
N-(2-amino-2-oxoethyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 110473843
1-(4-fluorophenyl)-N-(3-morpholin-4-ylphenyl)cyclopentane-1-carboxamide
CID 55979337

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide (CID 110439228) is N-(2,6-difluorophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide is O=C(Nc1c(F)cccc1F)C1(c2ccc(F)cc2)CCC1.
What is the InChIKey of N-(2,6-difluorophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide?
The InChIKey is CVNNUNGXNDGNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3NO/c18-12-7-5-11(6-8-12)17(9-2-10-17)16(22)21-15-13(19)3-1-4-14(15)20/h1,3-8H,2,9-10H2,(H,21,22).
What are the key properties of N-(2,6-difluorophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide?
N-(2,6-difluorophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide has a molecular weight of 305.30 g/mol, XLogP of 4.16, 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-(4-fluorophenyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 110439228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).