N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]-2-propan-2-yloxybenzamide

C24H25FN2O4 — CID 118336226

IUPACN-[(3-fluoro-4-methoxyphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]-2-propan-2-yloxybenzamide
SMILESCOc1ccc(CNC(=O)c2cc(-c3ncccc3CO)ccc2OC(C)C)cc1F
InChIInChI=1S/C24H25FN2O4/c1-15(2)31-21-9-7-17(23-18(14-28)5-4-10-26-23)12-19(21)24(29)27-13-16-6-8-22(30-3)20(25)11-16/h4-12,15,28H,13-14H2,1-3H3,(H,27,29)
InChIKeyXICMOLVNXBBWDL-UHFFFAOYSA-N
MW424.47 g/mol
LogP4.11
Rot. Bonds8

About N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]-2-propan-2-yloxybenzamide

N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]-2-propan-2-yloxybenzamide (PubChem CID 118336226) has the molecular formula C24H25FN2O4 and a molecular weight of 424.47 g/mol. Its IUPAC name is N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]-2-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-methoxyphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]-2-propan-2-yloxybenzamide
PubChem CID118336226
Molecular FormulaC24H25FN2O4
Molecular Weight424.47 g/mol
Exact Mass424.18
IUPAC NameN-[(3-fluoro-4-methoxyphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]-2-propan-2-yloxybenzamide
SMILESCOc1ccc(CNC(=O)c2cc(-c3ncccc3CO)ccc2OC(C)C)cc1F
InChIInChI=1S/C24H25FN2O4/c1-15(2)31-21-9-7-17(23-18(14-28)5-4-10-26-23)12-19(21)24(29)27-13-16-6-8-22(30-3)20(25)11-16/h4-12,15,28H,13-14H2,1-3H3,(H,27,29)
InChIKeyXICMOLVNXBBWDL-UHFFFAOYSA-N
XLogP4.11
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.47
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]-2-propan-2-yloxybenzamide 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

Picotamide
CID 4814
2-(3,4-Difluorophenoxy)-5-fluoro-N-(cis-4-((2-hydroxy-5-methylbenzoyl)amino)cyclohexyl)nicotinamide
CID 9876393
Picotamide monohydrate
CID 6419975
CP-457677
CID 10407399
2-(benzyloxy)-5-(2-fluoropyridin-4-yl)-N-(pyridin-3-yl)benzamide
CID 68107965
4-[4-[(2R)-2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]propyl]phenyl]-2-propan-2-yloxybenzoic acid
CID 44560792
4-[4-[(2R)-2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]propyl]phenyl]-2-propoxybenzoic acid
CID 44560793
5-[4-Butoxy-3-[[[2-fluoranyl-4-(trifluoromethyl)phenyl]carbonylamino]methyl]phenyl]-4,6-dimethyl-pyridine-3-carboxylic acid
CID 52948223
2-(4-Fluoro-phenoxy)-N-(4-methoxy-benzyl)-nicotinamide
CID 9884857
6-[4-(4-fluorophenoxy)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 10273574
8-(1-Anilinoethyl)-6-methyl-2-pyridin-4-ylchromen-4-one
CID 16757576
(R)-4''-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)ethyl)-3-isopropoxybiphenyl-4-carboxylic acid
CID 24895783

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]-2-propan-2-yloxybenzamide?
The IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]-2-propan-2-yloxybenzamide (CID 118336226) is N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]-2-propan-2-yloxybenzamide.
What is the SMILES notation for N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]-2-propan-2-yloxybenzamide?
The canonical SMILES for N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]-2-propan-2-yloxybenzamide is COc1ccc(CNC(=O)c2cc(-c3ncccc3CO)ccc2OC(C)C)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]-2-propan-2-yloxybenzamide?
The InChIKey is XICMOLVNXBBWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O4/c1-15(2)31-21-9-7-17(23-18(14-28)5-4-10-26-23)12-19(21)24(29)27-13-16-6-8-22(30-3)20(25)11-16/h4-12,15,28H,13-14H2,1-3H3,(H,27,29).
What are the key properties of N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]-2-propan-2-yloxybenzamide?
N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]-2-propan-2-yloxybenzamide has a molecular weight of 424.47 g/mol, XLogP of 4.11, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]-2-propan-2-yloxybenzamide is sourced from PubChem (CID 118336226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).