2-fluoro-N-(2-hydroxy-2-methylpropyl)-5-methoxybenzamide

C12H16FNO3 — CID 151161716

IUPAC2-fluoro-N-(2-hydroxy-2-methylpropyl)-5-methoxybenzamide
SMILESCOc1ccc(F)c(C(=O)NCC(C)(C)O)c1
InChIInChI=1S/C12H16FNO3/c1-12(2,16)7-14-11(15)9-6-8(17-3)4-5-10(9)13/h4-6,16H,7H2,1-3H3,(H,14,15)
InChIKeyNAJZADXYBWURJW-UHFFFAOYSA-N
MW241.26 g/mol
LogP1.34
Rot. Bonds4

About 2-fluoro-N-(2-hydroxy-2-methylpropyl)-5-methoxybenzamide

2-fluoro-N-(2-hydroxy-2-methylpropyl)-5-methoxybenzamide (PubChem CID 151161716) has the molecular formula C12H16FNO3 and a molecular weight of 241.26 g/mol. Its IUPAC name is 2-fluoro-N-(2-hydroxy-2-methylpropyl)-5-methoxybenzamide.

Molecular Properties

Compound Name2-fluoro-N-(2-hydroxy-2-methylpropyl)-5-methoxybenzamide
PubChem CID151161716
Molecular FormulaC12H16FNO3
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Name2-fluoro-N-(2-hydroxy-2-methylpropyl)-5-methoxybenzamide
SMILESCOc1ccc(F)c(C(=O)NCC(C)(C)O)c1
InChIInChI=1S/C12H16FNO3/c1-12(2,16)7-14-11(15)9-6-8(17-3)4-5-10(9)13/h4-6,16H,7H2,1-3H3,(H,14,15)
InChIKeyNAJZADXYBWURJW-UHFFFAOYSA-N
XLogP1.34
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-(2-hydroxy-2-methylpropyl)-5-nitrobenzamide
CID 65107582
2-amino-N-(2,3-dihydroxy-2-methylpropyl)-5-methoxybenzamide
CID 66169982
2-amino-N-(2-hydroxy-2-methylpropyl)-5-(2-methoxyethoxy)benzamide
CID 70098352
N-(2-hydroxy-2-methylpropyl)-2-(4-methoxyphenyl)acetamide
CID 65109847
4-amino-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 65104066
3-[(2,5-dimethoxybenzoyl)amino]-2,2-dimethylpropanoic acid
CID 81368930
1-(2-fluoro-5-methoxyphenyl)propan-1-one
CID 71322080
2,4-dichloro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 65109953
N-(2-hydroxy-2-methylbutyl)-2,4-dimethoxybenzamide
CID 65114811
ethyl 2-[(2-fluoro-4-methoxybenzoyl)amino]acetate
CID 87037221
2-amino-N-(2-hydroxy-2-methylpentyl)-5-methoxybenzamide
CID 106289273
6-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)-2-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 142597563

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-hydroxy-2-methylpropyl)-5-methoxybenzamide?
The IUPAC name of 2-fluoro-N-(2-hydroxy-2-methylpropyl)-5-methoxybenzamide (CID 151161716) is 2-fluoro-N-(2-hydroxy-2-methylpropyl)-5-methoxybenzamide.
What is the SMILES notation for 2-fluoro-N-(2-hydroxy-2-methylpropyl)-5-methoxybenzamide?
The canonical SMILES for 2-fluoro-N-(2-hydroxy-2-methylpropyl)-5-methoxybenzamide is COc1ccc(F)c(C(=O)NCC(C)(C)O)c1.
What is the InChIKey of 2-fluoro-N-(2-hydroxy-2-methylpropyl)-5-methoxybenzamide?
The InChIKey is NAJZADXYBWURJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3/c1-12(2,16)7-14-11(15)9-6-8(17-3)4-5-10(9)13/h4-6,16H,7H2,1-3H3,(H,14,15).
What are the key properties of 2-fluoro-N-(2-hydroxy-2-methylpropyl)-5-methoxybenzamide?
2-fluoro-N-(2-hydroxy-2-methylpropyl)-5-methoxybenzamide has a molecular weight of 241.26 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-hydroxy-2-methylpropyl)-5-methoxybenzamide is sourced from PubChem (CID 151161716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).