N-[3-(difluoromethyl)phenyl]-3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylbenzamide

C24H22F2N2O4 — CID 118948784

IUPACN-[3-(difluoromethyl)phenyl]-3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylbenzamide
SMILESCOc1ncc(-c2cc(C(=O)Nc3cccc(C(F)F)c3)ccc2C)cc1C1(O)COC1
InChIInChI=1S/C24H22F2N2O4/c1-14-6-7-16(22(29)28-18-5-3-4-15(8-18)21(25)26)9-19(14)17-10-20(23(31-2)27-11-17)24(30)12-32-13-24/h3-11,21,30H,12-13H2,1-2H3,(H,28,29)
InChIKeyBEEUUPGEUAELJF-UHFFFAOYSA-N
MW440.45 g/mol
LogP4.47
Rot. Bonds6

About N-[3-(difluoromethyl)phenyl]-3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylbenzamide

N-[3-(difluoromethyl)phenyl]-3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylbenzamide (PubChem CID 118948784) has the molecular formula C24H22F2N2O4 and a molecular weight of 440.45 g/mol. Its IUPAC name is N-[3-(difluoromethyl)phenyl]-3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[3-(difluoromethyl)phenyl]-3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylbenzamide
PubChem CID118948784
Molecular FormulaC24H22F2N2O4
Molecular Weight440.45 g/mol
Exact Mass440.15
IUPAC NameN-[3-(difluoromethyl)phenyl]-3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylbenzamide
SMILESCOc1ncc(-c2cc(C(=O)Nc3cccc(C(F)F)c3)ccc2C)cc1C1(O)COC1
InChIInChI=1S/C24H22F2N2O4/c1-14-6-7-16(22(29)28-18-5-3-4-15(8-18)21(25)26)9-19(14)17-10-20(23(31-2)27-11-17)24(30)12-32-13-24/h3-11,21,30H,12-13H2,1-2H3,(H,28,29)
InChIKeyBEEUUPGEUAELJF-UHFFFAOYSA-N
XLogP4.47
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.45
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-(difluoromethyl)phenyl]-3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Methyl-3-(pyridin-3-yl)-N-(4-(trifluoromethoxy)phenyl)benzamide
CID 89906547
US10167279, Example 17
CID 118948654
US10167279, Example 41
CID 134609355
US10167279, Example 59
CID 134609375
US10167279, Example 84
CID 134609381
US10167279, Example 124
CID 134609397
US10167279, Example 136
CID 134609413
US10167279, Example 13
CID 134609423
US10167279, Example 103
CID 134609424
US10167279, Example 108
CID 134609438
US10167279, Example 75
CID 134609440
US10167279, Example 119
CID 134609456

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethyl)phenyl]-3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylbenzamide?
The IUPAC name of N-[3-(difluoromethyl)phenyl]-3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylbenzamide (CID 118948784) is N-[3-(difluoromethyl)phenyl]-3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylbenzamide.
What is the SMILES notation for N-[3-(difluoromethyl)phenyl]-3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylbenzamide?
The canonical SMILES for N-[3-(difluoromethyl)phenyl]-3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylbenzamide is COc1ncc(-c2cc(C(=O)Nc3cccc(C(F)F)c3)ccc2C)cc1C1(O)COC1.
What is the InChIKey of N-[3-(difluoromethyl)phenyl]-3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylbenzamide?
The InChIKey is BEEUUPGEUAELJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N2O4/c1-14-6-7-16(22(29)28-18-5-3-4-15(8-18)21(25)26)9-19(14)17-10-20(23(31-2)27-11-17)24(30)12-32-13-24/h3-11,21,30H,12-13H2,1-2H3,(H,28,29).
What are the key properties of N-[3-(difluoromethyl)phenyl]-3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylbenzamide?
N-[3-(difluoromethyl)phenyl]-3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylbenzamide has a molecular weight of 440.45 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethyl)phenyl]-3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylbenzamide is sourced from PubChem (CID 118948784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).