N-[3-(4-fluorophenyl)-3-hydroxypropyl]-2,6-dimethoxybenzamide

C18H20FNO4 — CID 110665737

IUPACN-[3-(4-fluorophenyl)-3-hydroxypropyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NCCC(O)c1ccc(F)cc1
InChIInChI=1S/C18H20FNO4/c1-23-15-4-3-5-16(24-2)17(15)18(22)20-11-10-14(21)12-6-8-13(19)9-7-12/h3-9,14,21H,10-11H2,1-2H3,(H,20,22)
InChIKeyFKIDOFRTWBILDD-UHFFFAOYSA-N
MW333.36 g/mol
LogP2.70
Rot. Bonds7

About N-[3-(4-fluorophenyl)-3-hydroxypropyl]-2,6-dimethoxybenzamide

N-[3-(4-fluorophenyl)-3-hydroxypropyl]-2,6-dimethoxybenzamide (PubChem CID 110665737) has the molecular formula C18H20FNO4 and a molecular weight of 333.36 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)-3-hydroxypropyl]-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)-3-hydroxypropyl]-2,6-dimethoxybenzamide
PubChem CID110665737
Molecular FormulaC18H20FNO4
Molecular Weight333.36 g/mol
Exact Mass333.14
IUPAC NameN-[3-(4-fluorophenyl)-3-hydroxypropyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NCCC(O)c1ccc(F)cc1
InChIInChI=1S/C18H20FNO4/c1-23-15-4-3-5-16(24-2)17(15)18(22)20-11-10-14(21)12-6-8-13(19)9-7-12/h3-9,14,21H,10-11H2,1-2H3,(H,20,22)
InChIKeyFKIDOFRTWBILDD-UHFFFAOYSA-N
XLogP2.70
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(4-fluorobenzoyl)amino]ethyl]-2,6-dimethoxybenzamide
CID 108538277
N-[3-(4-fluorophenyl)-3-hydroxypropyl]-2-(4-methoxyphenyl)acetamide
CID 110665744
2-fluoro-N-[3-(4-fluorophenyl)-3-hydroxypropyl]benzamide
CID 110665726
N-[(4-fluorophenyl)methyl]-2,6-dimethoxybenzamide
CID 5216116
2,6-dimethoxy-N-(2-methoxyethyl)benzamide
CID 4128287
4-bromo-N-[3-(4-fluorophenyl)-3-hydroxypropyl]benzamide
CID 110665731
2-amino-N-(3-hydroxybutyl)-6-methoxybenzamide
CID 81420949
3-cyano-N-[3-(4-fluorophenyl)-3-hydroxypropyl]benzamide
CID 110665732
N-[2-[(2-chloro-6-fluorobenzoyl)amino]ethyl]-2,6-dimethoxybenzamide
CID 108538805
N-(2-hydroxypropyl)-2,6-dimethoxybenzamide
CID 43501194
5-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-methoxybenzamide
CID 110888727
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2,6-dimethoxybenzamide
CID 42266552

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)-3-hydroxypropyl]-2,6-dimethoxybenzamide?
The IUPAC name of N-[3-(4-fluorophenyl)-3-hydroxypropyl]-2,6-dimethoxybenzamide (CID 110665737) is N-[3-(4-fluorophenyl)-3-hydroxypropyl]-2,6-dimethoxybenzamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)-3-hydroxypropyl]-2,6-dimethoxybenzamide?
The canonical SMILES for N-[3-(4-fluorophenyl)-3-hydroxypropyl]-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)NCCC(O)c1ccc(F)cc1.
What is the InChIKey of N-[3-(4-fluorophenyl)-3-hydroxypropyl]-2,6-dimethoxybenzamide?
The InChIKey is FKIDOFRTWBILDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO4/c1-23-15-4-3-5-16(24-2)17(15)18(22)20-11-10-14(21)12-6-8-13(19)9-7-12/h3-9,14,21H,10-11H2,1-2H3,(H,20,22).
What are the key properties of N-[3-(4-fluorophenyl)-3-hydroxypropyl]-2,6-dimethoxybenzamide?
N-[3-(4-fluorophenyl)-3-hydroxypropyl]-2,6-dimethoxybenzamide has a molecular weight of 333.36 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)-3-hydroxypropyl]-2,6-dimethoxybenzamide is sourced from PubChem (CID 110665737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).