N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-3-hydroxy-4-methylbenzamide

C20H16F2N2O3 — CID 56750373

IUPACN-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-3-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2cccnc2Oc2ccc(F)c(F)c2)cc1O
InChIInChI=1S/C20H16F2N2O3/c1-12-4-5-13(9-18(12)25)19(26)24-11-14-3-2-8-23-20(14)27-15-6-7-16(21)17(22)10-15/h2-10,25H,11H2,1H3,(H,24,26)
InChIKeyYQOCCLYQJLUTGR-UHFFFAOYSA-N
MW370.36 g/mol
LogP4.10
Rot. Bonds5

About N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-3-hydroxy-4-methylbenzamide

N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-3-hydroxy-4-methylbenzamide (PubChem CID 56750373) has the molecular formula C20H16F2N2O3 and a molecular weight of 370.36 g/mol. Its IUPAC name is N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-3-hydroxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-3-hydroxy-4-methylbenzamide
PubChem CID56750373
Molecular FormulaC20H16F2N2O3
Molecular Weight370.36 g/mol
Exact Mass370.11
IUPAC NameN-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-3-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2cccnc2Oc2ccc(F)c(F)c2)cc1O
InChIInChI=1S/C20H16F2N2O3/c1-12-4-5-13(9-18(12)25)19(26)24-11-14-3-2-8-23-20(14)27-15-6-7-16(21)17(22)10-15/h2-10,25H,11H2,1H3,(H,24,26)
InChIKeyYQOCCLYQJLUTGR-UHFFFAOYSA-N
XLogP4.10
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-3-hydroxy-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

N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 42519109
N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-5-hydroxy-4-oxopyran-2-carboxamide
CID 56754301
N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-3,3-dimethylbutanamide
CID 56739429
N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]furan-2-carboxamide
CID 25289025
N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-2-(methylamino)-1,3-thiazole-4-carboxamide
CID 56752511
N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 42291285
N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-5-(hydroxymethyl)furan-2-carboxamide
CID 56752369
N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-3-(2-methylimidazol-1-yl)propanamide
CID 26405547
(2S)-N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 26413168
3-hydroxy-4-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 54940691
3,5-difluoro-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]benzamide
CID 55803628
6-methyl-N-[(2-phenoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 42458039

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-3-hydroxy-4-methylbenzamide?
The IUPAC name of N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-3-hydroxy-4-methylbenzamide (CID 56750373) is N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-3-hydroxy-4-methylbenzamide.
What is the SMILES notation for N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-3-hydroxy-4-methylbenzamide?
The canonical SMILES for N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-3-hydroxy-4-methylbenzamide is Cc1ccc(C(=O)NCc2cccnc2Oc2ccc(F)c(F)c2)cc1O.
What is the InChIKey of N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-3-hydroxy-4-methylbenzamide?
The InChIKey is YQOCCLYQJLUTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N2O3/c1-12-4-5-13(9-18(12)25)19(26)24-11-14-3-2-8-23-20(14)27-15-6-7-16(21)17(22)10-15/h2-10,25H,11H2,1H3,(H,24,26).
What are the key properties of N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-3-hydroxy-4-methylbenzamide?
N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-3-hydroxy-4-methylbenzamide has a molecular weight of 370.36 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-3-hydroxy-4-methylbenzamide is sourced from PubChem (CID 56750373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).