N-[[3-(fluoromethyl)-4-methoxyphenyl]methyl]-2-hydroxy-5-[4-(hydroxymethyl)-3-pyridinyl]benzamide

C22H21FN2O4 — CID 155050713

IUPACN-[[3-(fluoromethyl)-4-methoxyphenyl]methyl]-2-hydroxy-5-[4-(hydroxymethyl)-3-pyridinyl]benzamide
SMILESCOc1ccc(CNC(=O)c2cc(-c3cnccc3CO)ccc2O)cc1CF
InChIInChI=1S/C22H21FN2O4/c1-29-21-5-2-14(8-17(21)10-23)11-25-22(28)18-9-15(3-4-20(18)27)19-12-24-7-6-16(19)13-26/h2-9,12,26-27H,10-11,13H2,1H3,(H,25,28)
InChIKeyBNYCAWSMCQJOPZ-UHFFFAOYSA-N
MW396.42 g/mol
LogP3.35
Rot. Bonds7

About N-[[3-(fluoromethyl)-4-methoxyphenyl]methyl]-2-hydroxy-5-[4-(hydroxymethyl)-3-pyridinyl]benzamide

N-[[3-(fluoromethyl)-4-methoxyphenyl]methyl]-2-hydroxy-5-[4-(hydroxymethyl)-3-pyridinyl]benzamide (PubChem CID 155050713) has the molecular formula C22H21FN2O4 and a molecular weight of 396.42 g/mol. Its IUPAC name is N-[[3-(fluoromethyl)-4-methoxyphenyl]methyl]-2-hydroxy-5-[4-(hydroxymethyl)-3-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[[3-(fluoromethyl)-4-methoxyphenyl]methyl]-2-hydroxy-5-[4-(hydroxymethyl)-3-pyridinyl]benzamide
PubChem CID155050713
Molecular FormulaC22H21FN2O4
Molecular Weight396.42 g/mol
Exact Mass396.15
IUPAC NameN-[[3-(fluoromethyl)-4-methoxyphenyl]methyl]-2-hydroxy-5-[4-(hydroxymethyl)-3-pyridinyl]benzamide
SMILESCOc1ccc(CNC(=O)c2cc(-c3cnccc3CO)ccc2O)cc1CF
InChIInChI=1S/C22H21FN2O4/c1-29-21-5-2-14(8-17(21)10-23)11-25-22(28)18-9-15(3-4-20(18)27)19-12-24-7-6-16(19)13-26/h2-9,12,26-27H,10-11,13H2,1H3,(H,25,28)
InChIKeyBNYCAWSMCQJOPZ-UHFFFAOYSA-N
XLogP3.35
TPSA91.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[4-(hydroxymethyl)-3-pyridinyl]-2-(2-methylpropylamino)benzamide
CID 118336254
2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)-4-pyridinyl]benzamide
CID 126629287
2-methoxy-5-phenyl-N-(pyridin-4-ylmethyl)benzamide
CID 110410764
N-[(2-hydroxyphenyl)methyl]-3-methoxypyridine-4-carboxamide
CID 105063699
N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]-2-(2-methylbutoxy)benzamide
CID 144908484
N-[(3-amino-4-methoxyphenyl)methyl]-2-hydroxybenzamide
CID 60973203
2-hydroxy-5-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 11086863
2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[2-(hydroxymethyl)-3-pyridinyl]pyridine-3-carboxamide
CID 118335951
2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[4-(hydroxymethyl)-1H-pyrazol-5-yl]benzamide
CID 118336186
2-(3,4-dihydroxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 113199047
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropyl)benzamide
CID 167945432
5-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 2671578

Frequently Asked Questions

What is the IUPAC name of N-[[3-(fluoromethyl)-4-methoxyphenyl]methyl]-2-hydroxy-5-[4-(hydroxymethyl)-3-pyridinyl]benzamide?
The IUPAC name of N-[[3-(fluoromethyl)-4-methoxyphenyl]methyl]-2-hydroxy-5-[4-(hydroxymethyl)-3-pyridinyl]benzamide (CID 155050713) is N-[[3-(fluoromethyl)-4-methoxyphenyl]methyl]-2-hydroxy-5-[4-(hydroxymethyl)-3-pyridinyl]benzamide.
What is the SMILES notation for N-[[3-(fluoromethyl)-4-methoxyphenyl]methyl]-2-hydroxy-5-[4-(hydroxymethyl)-3-pyridinyl]benzamide?
The canonical SMILES for N-[[3-(fluoromethyl)-4-methoxyphenyl]methyl]-2-hydroxy-5-[4-(hydroxymethyl)-3-pyridinyl]benzamide is COc1ccc(CNC(=O)c2cc(-c3cnccc3CO)ccc2O)cc1CF.
What is the InChIKey of N-[[3-(fluoromethyl)-4-methoxyphenyl]methyl]-2-hydroxy-5-[4-(hydroxymethyl)-3-pyridinyl]benzamide?
The InChIKey is BNYCAWSMCQJOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O4/c1-29-21-5-2-14(8-17(21)10-23)11-25-22(28)18-9-15(3-4-20(18)27)19-12-24-7-6-16(19)13-26/h2-9,12,26-27H,10-11,13H2,1H3,(H,25,28).
What are the key properties of N-[[3-(fluoromethyl)-4-methoxyphenyl]methyl]-2-hydroxy-5-[4-(hydroxymethyl)-3-pyridinyl]benzamide?
N-[[3-(fluoromethyl)-4-methoxyphenyl]methyl]-2-hydroxy-5-[4-(hydroxymethyl)-3-pyridinyl]benzamide has a molecular weight of 396.42 g/mol, XLogP of 3.35, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(fluoromethyl)-4-methoxyphenyl]methyl]-2-hydroxy-5-[4-(hydroxymethyl)-3-pyridinyl]benzamide is sourced from PubChem (CID 155050713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).