2-fluoro-4-hydroxy-N-methoxy-N-methyl-5-propan-2-ylbenzamide

C12H16FNO3 — CID 155681438

IUPAC2-fluoro-4-hydroxy-N-methoxy-N-methyl-5-propan-2-ylbenzamide
SMILESCON(C)C(=O)c1cc(C(C)C)c(O)cc1F
InChIInChI=1S/C12H16FNO3/c1-7(2)8-5-9(10(13)6-11(8)15)12(16)14(3)17-4/h5-7,15H,1-4H3
InChIKeyWQJCSFMCVGJXOK-UHFFFAOYSA-N
MW241.26 g/mol
LogP2.29
Rot. Bonds3

About 2-fluoro-4-hydroxy-N-methoxy-N-methyl-5-propan-2-ylbenzamide

2-fluoro-4-hydroxy-N-methoxy-N-methyl-5-propan-2-ylbenzamide (PubChem CID 155681438) has the molecular formula C12H16FNO3 and a molecular weight of 241.26 g/mol. Its IUPAC name is 2-fluoro-4-hydroxy-N-methoxy-N-methyl-5-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-fluoro-4-hydroxy-N-methoxy-N-methyl-5-propan-2-ylbenzamide
PubChem CID155681438
Molecular FormulaC12H16FNO3
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Name2-fluoro-4-hydroxy-N-methoxy-N-methyl-5-propan-2-ylbenzamide
SMILESCON(C)C(=O)c1cc(C(C)C)c(O)cc1F
InChIInChI=1S/C12H16FNO3/c1-7(2)8-5-9(10(13)6-11(8)15)12(16)14(3)17-4/h5-7,15H,1-4H3
InChIKeyWQJCSFMCVGJXOK-UHFFFAOYSA-N
XLogP2.29
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methoxymethanamine;2,4,5-trifluoro-N-methoxy-N-methylbenzamide
CID 158345868
4-bromo-N-methoxy-N-methyl-2-propan-2-ylbenzamide
CID 146287487
5-fluoro-N-methoxy-N,2,4-trimethylbenzamide
CID 89047148
3-ethenyl-2,5-difluoro-4-hydroxy-N-methoxy-N-methylbenzamide
CID 139503683
2,3-dihydroxy-N-methoxy-N-methylbenzamide
CID 114344880
2-hydroxy-4-iodo-N-methoxy-N-methylbenzamide
CID 135067027
methyl 4-hydroxy-2-methoxy-5-propan-2-ylbenzoate
CID 58236464
chloromethane;2-fluoro-5-hydroxybenzoic acid;2-fluoro-5-hydroxy-N-methoxy-N-methylbenzamide;N-methylhydroxylamine
CID 161442585
2-amino-4-fluoro-N-methoxy-N-methylbenzamide
CID 63110530
5-amino-2-fluoro-N-methoxy-N,3-dimethylbenzamide
CID 103295990
3,5-dichloro-4-fluoro-N-methoxy-N-methylbenzamide
CID 145439185
2-hydroxybenzoic acid;2-hydroxy-N-methoxy-N-methylbenzamide
CID 158439697

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-hydroxy-N-methoxy-N-methyl-5-propan-2-ylbenzamide?
The IUPAC name of 2-fluoro-4-hydroxy-N-methoxy-N-methyl-5-propan-2-ylbenzamide (CID 155681438) is 2-fluoro-4-hydroxy-N-methoxy-N-methyl-5-propan-2-ylbenzamide.
What is the SMILES notation for 2-fluoro-4-hydroxy-N-methoxy-N-methyl-5-propan-2-ylbenzamide?
The canonical SMILES for 2-fluoro-4-hydroxy-N-methoxy-N-methyl-5-propan-2-ylbenzamide is CON(C)C(=O)c1cc(C(C)C)c(O)cc1F.
What is the InChIKey of 2-fluoro-4-hydroxy-N-methoxy-N-methyl-5-propan-2-ylbenzamide?
The InChIKey is WQJCSFMCVGJXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3/c1-7(2)8-5-9(10(13)6-11(8)15)12(16)14(3)17-4/h5-7,15H,1-4H3.
What are the key properties of 2-fluoro-4-hydroxy-N-methoxy-N-methyl-5-propan-2-ylbenzamide?
2-fluoro-4-hydroxy-N-methoxy-N-methyl-5-propan-2-ylbenzamide has a molecular weight of 241.26 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-hydroxy-N-methoxy-N-methyl-5-propan-2-ylbenzamide is sourced from PubChem (CID 155681438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).