2-fluoro-N-(3-hydroxy-2-methylpropyl)-6-methoxybenzamide

C12H16FNO3 — CID 65433658

IUPAC2-fluoro-N-(3-hydroxy-2-methylpropyl)-6-methoxybenzamide
SMILESCOc1cccc(F)c1C(=O)NCC(C)CO
InChIInChI=1S/C12H16FNO3/c1-8(7-15)6-14-12(16)11-9(13)4-3-5-10(11)17-2/h3-5,8,15H,6-7H2,1-2H3,(H,14,16)
InChIKeyBLJVGJLWGAPKRF-UHFFFAOYSA-N
MW241.26 g/mol
LogP1.19
Rot. Bonds5

About 2-fluoro-N-(3-hydroxy-2-methylpropyl)-6-methoxybenzamide

2-fluoro-N-(3-hydroxy-2-methylpropyl)-6-methoxybenzamide (PubChem CID 65433658) has the molecular formula C12H16FNO3 and a molecular weight of 241.26 g/mol. Its IUPAC name is 2-fluoro-N-(3-hydroxy-2-methylpropyl)-6-methoxybenzamide.

Molecular Properties

Compound Name2-fluoro-N-(3-hydroxy-2-methylpropyl)-6-methoxybenzamide
PubChem CID65433658
Molecular FormulaC12H16FNO3
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Name2-fluoro-N-(3-hydroxy-2-methylpropyl)-6-methoxybenzamide
SMILESCOc1cccc(F)c1C(=O)NCC(C)CO
InChIInChI=1S/C12H16FNO3/c1-8(7-15)6-14-12(16)11-9(13)4-3-5-10(11)17-2/h3-5,8,15H,6-7H2,1-2H3,(H,14,16)
InChIKeyBLJVGJLWGAPKRF-UHFFFAOYSA-N
XLogP1.19
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2-methylpropyl)-2-fluoro-6-methoxybenzamide
CID 65433400
5-[(2-fluoro-6-methoxybenzoyl)amino]-4-methylpentanoic acid
CID 82010234
N-(2,2-dimethoxyethyl)-2-fluoro-6-methoxybenzamide
CID 65434019
methyl 3-[(2-fluoro-6-methoxybenzoyl)amino]-2-hydroxypropanoate
CID 103957956
2-fluoro-6-methoxy-N-(3-methyl-2-oxobutyl)benzamide
CID 65434403
5-[(2-fluoro-6-methoxybenzoyl)amino]-2-methylpentanoic acid
CID 104681666
N-(2-bromopentyl)-2-fluoro-6-methoxybenzamide
CID 113496506
N-(2-chloro-2-phenylethyl)-2-fluoro-6-methoxybenzamide
CID 114295738
N-(2-amino-2-methylpropyl)-2-fluoro-6-methoxybenzamide
CID 81483225
N-(3-bromo-2-methylpropyl)-2,6-dimethoxybenzamide
CID 113275338
N-(2-hydroxypropyl)-2,6-dimethoxybenzamide
CID 43501194
3-[(2-fluoro-6-methoxybenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66174619

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(3-hydroxy-2-methylpropyl)-6-methoxybenzamide?
The IUPAC name of 2-fluoro-N-(3-hydroxy-2-methylpropyl)-6-methoxybenzamide (CID 65433658) is 2-fluoro-N-(3-hydroxy-2-methylpropyl)-6-methoxybenzamide.
What is the SMILES notation for 2-fluoro-N-(3-hydroxy-2-methylpropyl)-6-methoxybenzamide?
The canonical SMILES for 2-fluoro-N-(3-hydroxy-2-methylpropyl)-6-methoxybenzamide is COc1cccc(F)c1C(=O)NCC(C)CO.
What is the InChIKey of 2-fluoro-N-(3-hydroxy-2-methylpropyl)-6-methoxybenzamide?
The InChIKey is BLJVGJLWGAPKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3/c1-8(7-15)6-14-12(16)11-9(13)4-3-5-10(11)17-2/h3-5,8,15H,6-7H2,1-2H3,(H,14,16).
What are the key properties of 2-fluoro-N-(3-hydroxy-2-methylpropyl)-6-methoxybenzamide?
2-fluoro-N-(3-hydroxy-2-methylpropyl)-6-methoxybenzamide has a molecular weight of 241.26 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(3-hydroxy-2-methylpropyl)-6-methoxybenzamide is sourced from PubChem (CID 65433658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).