N-[1-[4-[6-(difluoromethoxy)-3-pyridinyl]phenyl]cyclobutyl]benzamide

C23H20F2N2O2 — CID 155124066

IUPACN-[1-[4-[6-(difluoromethoxy)-3-pyridinyl]phenyl]cyclobutyl]benzamide
SMILESO=C(NC1(c2ccc(-c3ccc(OC(F)F)nc3)cc2)CCC1)c1ccccc1
InChIInChI=1S/C23H20F2N2O2/c24-22(25)29-20-12-9-18(15-26-20)16-7-10-19(11-8-16)23(13-4-14-23)27-21(28)17-5-2-1-3-6-17/h1-3,5-12,15,22H,4,13-14H2,(H,27,28)
InChIKeyWMCKFESNCLJSHV-UHFFFAOYSA-N
MW394.42 g/mol
LogP5.16
Rot. Bonds6

About N-[1-[4-[6-(difluoromethoxy)-3-pyridinyl]phenyl]cyclobutyl]benzamide

N-[1-[4-[6-(difluoromethoxy)-3-pyridinyl]phenyl]cyclobutyl]benzamide (PubChem CID 155124066) has the molecular formula C23H20F2N2O2 and a molecular weight of 394.42 g/mol. Its IUPAC name is N-[1-[4-[6-(difluoromethoxy)-3-pyridinyl]phenyl]cyclobutyl]benzamide.

Molecular Properties

Compound NameN-[1-[4-[6-(difluoromethoxy)-3-pyridinyl]phenyl]cyclobutyl]benzamide
PubChem CID155124066
Molecular FormulaC23H20F2N2O2
Molecular Weight394.42 g/mol
Exact Mass394.15
IUPAC NameN-[1-[4-[6-(difluoromethoxy)-3-pyridinyl]phenyl]cyclobutyl]benzamide
SMILESO=C(NC1(c2ccc(-c3ccc(OC(F)F)nc3)cc2)CCC1)c1ccccc1
InChIInChI=1S/C23H20F2N2O2/c24-22(25)29-20-12-9-18(15-26-20)16-7-10-19(11-8-16)23(13-4-14-23)27-21(28)17-5-2-1-3-6-17/h1-3,5-12,15,22H,4,13-14H2,(H,27,28)
InChIKeyWMCKFESNCLJSHV-UHFFFAOYSA-N
XLogP5.16
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.42
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[6-(difluoromethoxy)-3-pyridinyl]phenyl]cyclobutyl]benzamide?
The IUPAC name of N-[1-[4-[6-(difluoromethoxy)-3-pyridinyl]phenyl]cyclobutyl]benzamide (CID 155124066) is N-[1-[4-[6-(difluoromethoxy)-3-pyridinyl]phenyl]cyclobutyl]benzamide.
What is the SMILES notation for N-[1-[4-[6-(difluoromethoxy)-3-pyridinyl]phenyl]cyclobutyl]benzamide?
The canonical SMILES for N-[1-[4-[6-(difluoromethoxy)-3-pyridinyl]phenyl]cyclobutyl]benzamide is O=C(NC1(c2ccc(-c3ccc(OC(F)F)nc3)cc2)CCC1)c1ccccc1.
What is the InChIKey of N-[1-[4-[6-(difluoromethoxy)-3-pyridinyl]phenyl]cyclobutyl]benzamide?
The InChIKey is WMCKFESNCLJSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N2O2/c24-22(25)29-20-12-9-18(15-26-20)16-7-10-19(11-8-16)23(13-4-14-23)27-21(28)17-5-2-1-3-6-17/h1-3,5-12,15,22H,4,13-14H2,(H,27,28).
What are the key properties of N-[1-[4-[6-(difluoromethoxy)-3-pyridinyl]phenyl]cyclobutyl]benzamide?
N-[1-[4-[6-(difluoromethoxy)-3-pyridinyl]phenyl]cyclobutyl]benzamide has a molecular weight of 394.42 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[6-(difluoromethoxy)-3-pyridinyl]phenyl]cyclobutyl]benzamide is sourced from PubChem (CID 155124066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).