N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-2-pyridin-3-yloxybenzamide

C21H18F2N2O4 — CID 86967156

IUPACN-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-2-pyridin-3-yloxybenzamide
SMILESO=C(NCC(O)c1ccc(OC(F)F)cc1)c1ccccc1Oc1cccnc1
InChIInChI=1S/C21H18F2N2O4/c22-21(23)29-15-9-7-14(8-10-15)18(26)13-25-20(27)17-5-1-2-6-19(17)28-16-4-3-11-24-12-16/h1-12,18,21,26H,13H2,(H,25,27)
InChIKeyUONKHRUQWHPTFY-UHFFFAOYSA-N
MW400.38 g/mol
LogP3.94
Rot. Bonds8

About N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-2-pyridin-3-yloxybenzamide

N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-2-pyridin-3-yloxybenzamide (PubChem CID 86967156) has the molecular formula C21H18F2N2O4 and a molecular weight of 400.38 g/mol. Its IUPAC name is N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-2-pyridin-3-yloxybenzamide.

Molecular Properties

Compound NameN-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-2-pyridin-3-yloxybenzamide
PubChem CID86967156
Molecular FormulaC21H18F2N2O4
Molecular Weight400.38 g/mol
Exact Mass400.12
IUPAC NameN-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-2-pyridin-3-yloxybenzamide
SMILESO=C(NCC(O)c1ccc(OC(F)F)cc1)c1ccccc1Oc1cccnc1
InChIInChI=1S/C21H18F2N2O4/c22-21(23)29-15-9-7-14(8-10-15)18(26)13-25-20(27)17-5-1-2-6-19(17)28-16-4-3-11-24-12-16/h1-12,18,21,26H,13H2,(H,25,27)
InChIKeyUONKHRUQWHPTFY-UHFFFAOYSA-N
XLogP3.94
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.38
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxy-2-thiophen-3-ylethyl)-2-pyridin-3-yloxybenzamide
CID 111441717
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-2-pyridin-3-ylacetamide
CID 111424709
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-fluoropyridine-4-carboxamide
CID 111458227
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-1H-indazole-7-carboxamide
CID 111424764
N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-2-pyridin-3-yloxypyridine-3-carboxamide
CID 166208718
2-(difluoromethoxy)-N-(2-pyridin-3-ylethyl)benzamide
CID 39561684
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-6-methylpyridine-3-carboxamide
CID 111424671
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-2-methylpropanamide
CID 111424743
N-(3,3-difluoro-2-hydroxypropyl)-2-(difluoromethoxy)benzamide
CID 103770487
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 47178927
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-phenylpropanamide
CID 111424772
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-methylbenzamide
CID 111424679

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-2-pyridin-3-yloxybenzamide?
The IUPAC name of N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-2-pyridin-3-yloxybenzamide (CID 86967156) is N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-2-pyridin-3-yloxybenzamide.
What is the SMILES notation for N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-2-pyridin-3-yloxybenzamide?
The canonical SMILES for N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-2-pyridin-3-yloxybenzamide is O=C(NCC(O)c1ccc(OC(F)F)cc1)c1ccccc1Oc1cccnc1.
What is the InChIKey of N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-2-pyridin-3-yloxybenzamide?
The InChIKey is UONKHRUQWHPTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N2O4/c22-21(23)29-15-9-7-14(8-10-15)18(26)13-25-20(27)17-5-1-2-6-19(17)28-16-4-3-11-24-12-16/h1-12,18,21,26H,13H2,(H,25,27).
What are the key properties of N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-2-pyridin-3-yloxybenzamide?
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-2-pyridin-3-yloxybenzamide has a molecular weight of 400.38 g/mol, XLogP of 3.94, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-2-pyridin-3-yloxybenzamide is sourced from PubChem (CID 86967156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).