N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-hydroxy-3-methoxy-5-methylbenzamide

C17H18FNO4 — CID 56782034

IUPACN-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-hydroxy-3-methoxy-5-methylbenzamide
SMILESCOc1cc(C)cc(C(=O)NCC(O)c2cccc(F)c2)c1O
InChIInChI=1S/C17H18FNO4/c1-10-6-13(16(21)15(7-10)23-2)17(22)19-9-14(20)11-4-3-5-12(18)8-11/h3-8,14,20-21H,9H2,1-2H3,(H,19,22)
InChIKeyIJKZTHYIYLWBPW-UHFFFAOYSA-N
MW319.33 g/mol
LogP2.31
Rot. Bonds5

About N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-hydroxy-3-methoxy-5-methylbenzamide

N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-hydroxy-3-methoxy-5-methylbenzamide (PubChem CID 56782034) has the molecular formula C17H18FNO4 and a molecular weight of 319.33 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-hydroxy-3-methoxy-5-methylbenzamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-hydroxy-3-methoxy-5-methylbenzamide
PubChem CID56782034
Molecular FormulaC17H18FNO4
Molecular Weight319.33 g/mol
Exact Mass319.12
IUPAC NameN-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-hydroxy-3-methoxy-5-methylbenzamide
SMILESCOc1cc(C)cc(C(=O)NCC(O)c2cccc(F)c2)c1O
InChIInChI=1S/C17H18FNO4/c1-10-6-13(16(21)15(7-10)23-2)17(22)19-9-14(20)11-4-3-5-12(18)8-11/h3-8,14,20-21H,9H2,1-2H3,(H,19,22)
InChIKeyIJKZTHYIYLWBPW-UHFFFAOYSA-N
XLogP2.31
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-methoxybenzamide
CID 110888727
1-(3-fluorophenyl)-2-[(2-methoxyphenyl)methylamino]ethanol
CID 60896885
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2,5-dimethylbenzamide
CID 72717717
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 90613273
N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-(2-methylphenyl)acetamide
CID 51094283
N-[2-(3-fluorophenyl)-2-methoxyethyl]-2,4-dimethylbenzamide
CID 90622908
N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-(methylamino)acetamide
CID 119755074
(2S)-2-amino-N-[2-(3-fluorophenyl)-2-hydroxyethyl]propanamide
CID 119306982
3-[[2-(3,5-dimethylphenyl)-2-hydroxyethyl]carbamoyl]-2-methoxybenzoic acid
CID 166289712
(1S)-1-(3-fluorophenyl)-2-[(2,3,4-trimethoxyphenyl)methylamino]ethanol
CID 94816511
4-fluoro-2-hydroxy-N-(2-hydroxy-2-phenylethyl)benzamide
CID 103829637
3-(difluoromethoxy)-N-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]thiophene-2-carboxamide
CID 95901689

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-hydroxy-3-methoxy-5-methylbenzamide?
The IUPAC name of N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-hydroxy-3-methoxy-5-methylbenzamide (CID 56782034) is N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-hydroxy-3-methoxy-5-methylbenzamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-hydroxy-3-methoxy-5-methylbenzamide?
The canonical SMILES for N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-hydroxy-3-methoxy-5-methylbenzamide is COc1cc(C)cc(C(=O)NCC(O)c2cccc(F)c2)c1O.
What is the InChIKey of N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-hydroxy-3-methoxy-5-methylbenzamide?
The InChIKey is IJKZTHYIYLWBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO4/c1-10-6-13(16(21)15(7-10)23-2)17(22)19-9-14(20)11-4-3-5-12(18)8-11/h3-8,14,20-21H,9H2,1-2H3,(H,19,22).
What are the key properties of N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-hydroxy-3-methoxy-5-methylbenzamide?
N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-hydroxy-3-methoxy-5-methylbenzamide has a molecular weight of 319.33 g/mol, XLogP of 2.31, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-hydroxy-3-methoxy-5-methylbenzamide is sourced from PubChem (CID 56782034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).