2-fluoro-4-hydroxy-N-methyl-N-pentan-2-ylbenzamide

C13H18FNO2 — CID 113355617

IUPAC2-fluoro-4-hydroxy-N-methyl-N-pentan-2-ylbenzamide
SMILESCCCC(C)N(C)C(=O)c1ccc(O)cc1F
InChIInChI=1S/C13H18FNO2/c1-4-5-9(2)15(3)13(17)11-7-6-10(16)8-12(11)14/h6-9,16H,4-5H2,1-3H3
InChIKeyQFHVMBWLBFBXNR-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.79
Rot. Bonds4

About 2-fluoro-4-hydroxy-N-methyl-N-pentan-2-ylbenzamide

2-fluoro-4-hydroxy-N-methyl-N-pentan-2-ylbenzamide (PubChem CID 113355617) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 2-fluoro-4-hydroxy-N-methyl-N-pentan-2-ylbenzamide.

Molecular Properties

Compound Name2-fluoro-4-hydroxy-N-methyl-N-pentan-2-ylbenzamide
PubChem CID113355617
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name2-fluoro-4-hydroxy-N-methyl-N-pentan-2-ylbenzamide
SMILESCCCC(C)N(C)C(=O)c1ccc(O)cc1F
InChIInChI=1S/C13H18FNO2/c1-4-5-9(2)15(3)13(17)11-7-6-10(16)8-12(11)14/h6-9,16H,4-5H2,1-3H3
InChIKeyQFHVMBWLBFBXNR-UHFFFAOYSA-N
XLogP2.79
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-4-methoxy-N-methyl-N-pentan-2-ylbenzamide
CID 43430281
N-butan-2-yl-N-butyl-2-fluoro-4-hydroxybenzamide
CID 107676641
N-butan-2-yl-2-fluoro-N,4-dimethylbenzamide
CID 79778554
N-[2-(dimethylamino)ethyl]-2-fluoro-4-hydroxy-N-propylbenzamide
CID 104929967
N-[1-(3-chlorophenyl)ethyl]-2-fluoro-4-hydroxy-N-methylbenzamide
CID 104928613
N-(1-bromopropan-2-yl)-2,4-dihydroxy-N-methylbenzamide
CID 107726128
2-[(2-fluoro-4-hydroxybenzoyl)-propylamino]acetic acid
CID 107674770
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-fluoro-4-hydroxy-N-methylbenzamide
CID 107676000
N,2-dimethyl-N-pentan-2-ylbenzamide
CID 71253300
2-hydroxy-N,3-dimethyl-N-pentan-2-ylbenzamide
CID 43430193
N-(4-aminobutan-2-yl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 113281484
5-amino-2-fluoro-N,3-dimethyl-N-pentan-2-ylbenzamide
CID 103295951

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-hydroxy-N-methyl-N-pentan-2-ylbenzamide?
The IUPAC name of 2-fluoro-4-hydroxy-N-methyl-N-pentan-2-ylbenzamide (CID 113355617) is 2-fluoro-4-hydroxy-N-methyl-N-pentan-2-ylbenzamide.
What is the SMILES notation for 2-fluoro-4-hydroxy-N-methyl-N-pentan-2-ylbenzamide?
The canonical SMILES for 2-fluoro-4-hydroxy-N-methyl-N-pentan-2-ylbenzamide is CCCC(C)N(C)C(=O)c1ccc(O)cc1F.
What is the InChIKey of 2-fluoro-4-hydroxy-N-methyl-N-pentan-2-ylbenzamide?
The InChIKey is QFHVMBWLBFBXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-4-5-9(2)15(3)13(17)11-7-6-10(16)8-12(11)14/h6-9,16H,4-5H2,1-3H3.
What are the key properties of 2-fluoro-4-hydroxy-N-methyl-N-pentan-2-ylbenzamide?
2-fluoro-4-hydroxy-N-methyl-N-pentan-2-ylbenzamide has a molecular weight of 239.29 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-hydroxy-N-methyl-N-pentan-2-ylbenzamide is sourced from PubChem (CID 113355617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).