N-[[2-fluoro-5-(4-fluorophenoxy)-4-methylphenyl]methyl]-2-hydroxybenzamide

C21H17F2NO3 — CID 173133157

IUPACN-[[2-fluoro-5-(4-fluorophenoxy)-4-methylphenyl]methyl]-2-hydroxybenzamide
SMILESCc1cc(F)c(CNC(=O)c2ccccc2O)cc1Oc1ccc(F)cc1
InChIInChI=1S/C21H17F2NO3/c1-13-10-18(23)14(11-20(13)27-16-8-6-15(22)7-9-16)12-24-21(26)17-4-2-3-5-19(17)25/h2-11,25H,12H2,1H3,(H,24,26)
InChIKeyKRVXZXUEFAUPCO-UHFFFAOYSA-N
MW369.37 g/mol
LogP4.70
Rot. Bonds5

About N-[[2-fluoro-5-(4-fluorophenoxy)-4-methylphenyl]methyl]-2-hydroxybenzamide

N-[[2-fluoro-5-(4-fluorophenoxy)-4-methylphenyl]methyl]-2-hydroxybenzamide (PubChem CID 173133157) has the molecular formula C21H17F2NO3 and a molecular weight of 369.37 g/mol. Its IUPAC name is N-[[2-fluoro-5-(4-fluorophenoxy)-4-methylphenyl]methyl]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[[2-fluoro-5-(4-fluorophenoxy)-4-methylphenyl]methyl]-2-hydroxybenzamide
PubChem CID173133157
Molecular FormulaC21H17F2NO3
Molecular Weight369.37 g/mol
Exact Mass369.12
IUPAC NameN-[[2-fluoro-5-(4-fluorophenoxy)-4-methylphenyl]methyl]-2-hydroxybenzamide
SMILESCc1cc(F)c(CNC(=O)c2ccccc2O)cc1Oc1ccc(F)cc1
InChIInChI=1S/C21H17F2NO3/c1-13-10-18(23)14(11-20(13)27-16-8-6-15(22)7-9-16)12-24-21(26)17-4-2-3-5-19(17)25/h2-11,25H,12H2,1H3,(H,24,26)
InChIKeyKRVXZXUEFAUPCO-UHFFFAOYSA-N
XLogP4.70
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[[5-fluoro-2-(4-fluorophenoxy)benzoyl]amino]methyl]benzoic acid
CID 141112094
2-hydroxy-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide
CID 18116275
5-fluoro-N-[(2-hydroxyphenyl)methyl]-2-methylbenzamide
CID 115598801
N-[[4-(4-fluorophenoxy)-2-methylphenyl]methyl]-2,4,6-trihydroxybenzamide
CID 139467157
N-[(2,5-difluorophenyl)methyl]-2-hydroxy-3-methoxybenzamide
CID 63373922
N-[(2-fluorophenyl)methyl]-2-hydroxy-5-methoxybenzamide
CID 60630315
2,5-difluoro-N-[(2-methylphenyl)methyl]benzamide
CID 30500868
N-[(2,5-difluorophenyl)methyl]-5-fluoro-2-hydroxybenzamide
CID 79880980
N-[(2-ethylphenyl)methyl]-5-fluoro-2-hydroxybenzamide
CID 115299129
ethyl 2-[3-fluoro-4-[[[2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]phenyl]acetate
CID 69414854
2,3-difluoro-N-[(2-methylphenyl)methyl]benzamide
CID 62649874
1-[2-(4-fluorophenoxy)phenyl]ethanone
CID 10633209

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-5-(4-fluorophenoxy)-4-methylphenyl]methyl]-2-hydroxybenzamide?
The IUPAC name of N-[[2-fluoro-5-(4-fluorophenoxy)-4-methylphenyl]methyl]-2-hydroxybenzamide (CID 173133157) is N-[[2-fluoro-5-(4-fluorophenoxy)-4-methylphenyl]methyl]-2-hydroxybenzamide.
What is the SMILES notation for N-[[2-fluoro-5-(4-fluorophenoxy)-4-methylphenyl]methyl]-2-hydroxybenzamide?
The canonical SMILES for N-[[2-fluoro-5-(4-fluorophenoxy)-4-methylphenyl]methyl]-2-hydroxybenzamide is Cc1cc(F)c(CNC(=O)c2ccccc2O)cc1Oc1ccc(F)cc1.
What is the InChIKey of N-[[2-fluoro-5-(4-fluorophenoxy)-4-methylphenyl]methyl]-2-hydroxybenzamide?
The InChIKey is KRVXZXUEFAUPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2NO3/c1-13-10-18(23)14(11-20(13)27-16-8-6-15(22)7-9-16)12-24-21(26)17-4-2-3-5-19(17)25/h2-11,25H,12H2,1H3,(H,24,26).
What are the key properties of N-[[2-fluoro-5-(4-fluorophenoxy)-4-methylphenyl]methyl]-2-hydroxybenzamide?
N-[[2-fluoro-5-(4-fluorophenoxy)-4-methylphenyl]methyl]-2-hydroxybenzamide has a molecular weight of 369.37 g/mol, XLogP of 4.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-5-(4-fluorophenoxy)-4-methylphenyl]methyl]-2-hydroxybenzamide is sourced from PubChem (CID 173133157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).