N-[[4-(4-fluorophenoxy)-2-methylphenyl]methyl]-2,4,6-trihydroxybenzamide

C21H18FNO5 — CID 139467157

IUPACN-[[4-(4-fluorophenoxy)-2-methylphenyl]methyl]-2,4,6-trihydroxybenzamide
SMILESCc1cc(Oc2ccc(F)cc2)ccc1CNC(=O)c1c(O)cc(O)cc1O
InChIInChI=1S/C21H18FNO5/c1-12-8-17(28-16-6-3-14(22)4-7-16)5-2-13(12)11-23-21(27)20-18(25)9-15(24)10-19(20)26/h2-10,24-26H,11H2,1H3,(H,23,27)
InChIKeyYDYCIFFKQZNVSK-UHFFFAOYSA-N
MW383.38 g/mol
LogP3.97
Rot. Bonds5

About N-[[4-(4-fluorophenoxy)-2-methylphenyl]methyl]-2,4,6-trihydroxybenzamide

N-[[4-(4-fluorophenoxy)-2-methylphenyl]methyl]-2,4,6-trihydroxybenzamide (PubChem CID 139467157) has the molecular formula C21H18FNO5 and a molecular weight of 383.38 g/mol. Its IUPAC name is N-[[4-(4-fluorophenoxy)-2-methylphenyl]methyl]-2,4,6-trihydroxybenzamide.

Molecular Properties

Compound NameN-[[4-(4-fluorophenoxy)-2-methylphenyl]methyl]-2,4,6-trihydroxybenzamide
PubChem CID139467157
Molecular FormulaC21H18FNO5
Molecular Weight383.38 g/mol
Exact Mass383.12
IUPAC NameN-[[4-(4-fluorophenoxy)-2-methylphenyl]methyl]-2,4,6-trihydroxybenzamide
SMILESCc1cc(Oc2ccc(F)cc2)ccc1CNC(=O)c1c(O)cc(O)cc1O
InChIInChI=1S/C21H18FNO5/c1-12-8-17(28-16-6-3-14(22)4-7-16)5-2-13(12)11-23-21(27)20-18(25)9-15(24)10-19(20)26/h2-10,24-26H,11H2,1H3,(H,23,27)
InChIKeyYDYCIFFKQZNVSK-UHFFFAOYSA-N
XLogP3.97
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 53.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(4-fluorophenoxy)-2-methylphenyl]methyl]ethanamine
CID 62130842
N-[[3-chloro-4-(4-fluorophenoxy)phenyl]methyl]-2,4,6-trihydroxybenzamide
CID 139466938
N-[[2-fluoro-5-(4-fluorophenoxy)-4-methylphenyl]methyl]-2-hydroxybenzamide
CID 173133157
3-(2-methyl-4-phenoxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one
CID 129220866
4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]-3-methylbenzoic acid
CID 58905325
1-[4-(4-fluorophenoxy)-2-methylphenyl]propan-2-amine
CID 63801756
5-fluoro-N-[(2-hydroxyphenyl)methyl]-2-methylbenzamide
CID 115598801
(E)-3-[4-(4-fluorophenoxy)phenyl]-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one
CID 129220919
5-fluoro-2-hydroxy-N-[(4-methylthiophen-3-yl)methyl]benzamide
CID 115299175
1-[4-(3,4-difluorophenoxy)-2-methylphenyl]-N-methylmethanamine
CID 55038504
tert-butyl N-[(4-fluoro-2-methylphenyl)methyl]carbamate
CID 59483479
2,6-dihydroxy-N-[(4-methoxyphenyl)methyl]-4-methylbenzamide
CID 58981626

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-fluorophenoxy)-2-methylphenyl]methyl]-2,4,6-trihydroxybenzamide?
The IUPAC name of N-[[4-(4-fluorophenoxy)-2-methylphenyl]methyl]-2,4,6-trihydroxybenzamide (CID 139467157) is N-[[4-(4-fluorophenoxy)-2-methylphenyl]methyl]-2,4,6-trihydroxybenzamide.
What is the SMILES notation for N-[[4-(4-fluorophenoxy)-2-methylphenyl]methyl]-2,4,6-trihydroxybenzamide?
The canonical SMILES for N-[[4-(4-fluorophenoxy)-2-methylphenyl]methyl]-2,4,6-trihydroxybenzamide is Cc1cc(Oc2ccc(F)cc2)ccc1CNC(=O)c1c(O)cc(O)cc1O.
What is the InChIKey of N-[[4-(4-fluorophenoxy)-2-methylphenyl]methyl]-2,4,6-trihydroxybenzamide?
The InChIKey is YDYCIFFKQZNVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO5/c1-12-8-17(28-16-6-3-14(22)4-7-16)5-2-13(12)11-23-21(27)20-18(25)9-15(24)10-19(20)26/h2-10,24-26H,11H2,1H3,(H,23,27).
What are the key properties of N-[[4-(4-fluorophenoxy)-2-methylphenyl]methyl]-2,4,6-trihydroxybenzamide?
N-[[4-(4-fluorophenoxy)-2-methylphenyl]methyl]-2,4,6-trihydroxybenzamide has a molecular weight of 383.38 g/mol, XLogP of 3.97, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-fluorophenoxy)-2-methylphenyl]methyl]-2,4,6-trihydroxybenzamide is sourced from PubChem (CID 139467157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).