4-fluoro-2-hydroxy-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide

C12H16FNO4 — CID 103863065

IUPAC4-fluoro-2-hydroxy-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide
SMILESCOCC(O)CN(C)C(=O)c1ccc(F)cc1O
InChIInChI=1S/C12H16FNO4/c1-14(6-9(15)7-18-2)12(17)10-4-3-8(13)5-11(10)16/h3-5,9,15-16H,6-7H2,1-2H3
InChIKeyWWIOWRIWGKQLOO-UHFFFAOYSA-N
MW257.26 g/mol
LogP0.61
Rot. Bonds5

About 4-fluoro-2-hydroxy-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide

4-fluoro-2-hydroxy-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide (PubChem CID 103863065) has the molecular formula C12H16FNO4 and a molecular weight of 257.26 g/mol. Its IUPAC name is 4-fluoro-2-hydroxy-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide.

Molecular Properties

Compound Name4-fluoro-2-hydroxy-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide
PubChem CID103863065
Molecular FormulaC12H16FNO4
Molecular Weight257.26 g/mol
Exact Mass257.11
IUPAC Name4-fluoro-2-hydroxy-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide
SMILESCOCC(O)CN(C)C(=O)c1ccc(F)cc1O
InChIInChI=1S/C12H16FNO4/c1-14(6-9(15)7-18-2)12(17)10-4-3-8(13)5-11(10)16/h3-5,9,15-16H,6-7H2,1-2H3
InChIKeyWWIOWRIWGKQLOO-UHFFFAOYSA-N
XLogP0.61
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dihydroxy-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide
CID 113347205
N-(2-bromopropyl)-4-fluoro-2-hydroxy-N-methylbenzamide
CID 107016758
5-amino-2-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide
CID 54994795
N-(2-chloro-3-methoxypropyl)-2,4-difluoro-N-methylbenzamide
CID 55186682
N-butyl-4-fluoro-2-hydroxy-N-methylbenzamide
CID 103829638
2-[(4-fluoro-2-hydroxybenzoyl)-methylamino]acetic acid
CID 107013339
2-amino-N-(2-hydroxy-3-methoxypropyl)-5-methoxy-N-methylbenzamide
CID 54994939
3-amino-4-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide
CID 54994745
5-(4-fluorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylthiophene-2-carboxamide
CID 111695059
2-bromo-N-(2-chloro-3-methoxypropyl)-4-fluoro-N-methylbenzamide
CID 55186683
3,5-dihydroxy-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide
CID 103892640
2,5-difluoro-N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-nitrobenzamide
CID 107121985

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-hydroxy-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide?
The IUPAC name of 4-fluoro-2-hydroxy-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide (CID 103863065) is 4-fluoro-2-hydroxy-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide.
What is the SMILES notation for 4-fluoro-2-hydroxy-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide?
The canonical SMILES for 4-fluoro-2-hydroxy-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide is COCC(O)CN(C)C(=O)c1ccc(F)cc1O.
What is the InChIKey of 4-fluoro-2-hydroxy-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide?
The InChIKey is WWIOWRIWGKQLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO4/c1-14(6-9(15)7-18-2)12(17)10-4-3-8(13)5-11(10)16/h3-5,9,15-16H,6-7H2,1-2H3.
What are the key properties of 4-fluoro-2-hydroxy-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide?
4-fluoro-2-hydroxy-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide has a molecular weight of 257.26 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-hydroxy-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide is sourced from PubChem (CID 103863065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).