2-[2-(difluoromethoxy)phenyl]-N-(2-pyridin-4-yloxan-4-yl)cyclopropane-1-carboxamide

C21H22F2N2O3 — CID 166236273

IUPAC2-[2-(difluoromethoxy)phenyl]-N-(2-pyridin-4-yloxan-4-yl)cyclopropane-1-carboxamide
SMILESO=C(NC1CCOC(c2ccncc2)C1)C1CC1c1ccccc1OC(F)F
InChIInChI=1S/C21H22F2N2O3/c22-21(23)28-18-4-2-1-3-15(18)16-12-17(16)20(26)25-14-7-10-27-19(11-14)13-5-8-24-9-6-13/h1-6,8-9,14,16-17,19,21H,7,10-12H2,(H,25,26)
InChIKeyJIHZQYPDAOIDHX-UHFFFAOYSA-N
MW388.41 g/mol
LogP3.82
Rot. Bonds6

About 2-[2-(difluoromethoxy)phenyl]-N-(2-pyridin-4-yloxan-4-yl)cyclopropane-1-carboxamide

2-[2-(difluoromethoxy)phenyl]-N-(2-pyridin-4-yloxan-4-yl)cyclopropane-1-carboxamide (PubChem CID 166236273) has the molecular formula C21H22F2N2O3 and a molecular weight of 388.41 g/mol. Its IUPAC name is 2-[2-(difluoromethoxy)phenyl]-N-(2-pyridin-4-yloxan-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-[2-(difluoromethoxy)phenyl]-N-(2-pyridin-4-yloxan-4-yl)cyclopropane-1-carboxamide
PubChem CID166236273
Molecular FormulaC21H22F2N2O3
Molecular Weight388.41 g/mol
Exact Mass388.16
IUPAC Name2-[2-(difluoromethoxy)phenyl]-N-(2-pyridin-4-yloxan-4-yl)cyclopropane-1-carboxamide
SMILESO=C(NC1CCOC(c2ccncc2)C1)C1CC1c1ccccc1OC(F)F
InChIInChI=1S/C21H22F2N2O3/c22-21(23)28-18-4-2-1-3-15(18)16-12-17(16)20(26)25-14-7-10-27-19(11-14)13-5-8-24-9-6-13/h1-6,8-9,14,16-17,19,21H,7,10-12H2,(H,25,26)
InChIKeyJIHZQYPDAOIDHX-UHFFFAOYSA-N
XLogP3.82
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.41
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethoxy)phenyl]-N-(2-pyridin-4-yloxan-4-yl)cyclopropane-1-carboxamide?
The IUPAC name of 2-[2-(difluoromethoxy)phenyl]-N-(2-pyridin-4-yloxan-4-yl)cyclopropane-1-carboxamide (CID 166236273) is 2-[2-(difluoromethoxy)phenyl]-N-(2-pyridin-4-yloxan-4-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-[2-(difluoromethoxy)phenyl]-N-(2-pyridin-4-yloxan-4-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-[2-(difluoromethoxy)phenyl]-N-(2-pyridin-4-yloxan-4-yl)cyclopropane-1-carboxamide is O=C(NC1CCOC(c2ccncc2)C1)C1CC1c1ccccc1OC(F)F.
What is the InChIKey of 2-[2-(difluoromethoxy)phenyl]-N-(2-pyridin-4-yloxan-4-yl)cyclopropane-1-carboxamide?
The InChIKey is JIHZQYPDAOIDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N2O3/c22-21(23)28-18-4-2-1-3-15(18)16-12-17(16)20(26)25-14-7-10-27-19(11-14)13-5-8-24-9-6-13/h1-6,8-9,14,16-17,19,21H,7,10-12H2,(H,25,26).
What are the key properties of 2-[2-(difluoromethoxy)phenyl]-N-(2-pyridin-4-yloxan-4-yl)cyclopropane-1-carboxamide?
2-[2-(difluoromethoxy)phenyl]-N-(2-pyridin-4-yloxan-4-yl)cyclopropane-1-carboxamide has a molecular weight of 388.41 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethoxy)phenyl]-N-(2-pyridin-4-yloxan-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 166236273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).