2-chloro-3-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)benzamide

C13H17ClFNO3 — CID 110002736

IUPAC2-chloro-3-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)benzamide
SMILESCOCC(C)(CCO)NC(=O)c1cccc(F)c1Cl
InChIInChI=1S/C13H17ClFNO3/c1-13(6-7-17,8-19-2)16-12(18)9-4-3-5-10(15)11(9)14/h3-5,17H,6-8H2,1-2H3,(H,16,18)
InChIKeyGBJZJPPSJKRIFZ-UHFFFAOYSA-N
MW289.73 g/mol
LogP2.00
Rot. Bonds6

About 2-chloro-3-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)benzamide

2-chloro-3-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)benzamide (PubChem CID 110002736) has the molecular formula C13H17ClFNO3 and a molecular weight of 289.73 g/mol. Its IUPAC name is 2-chloro-3-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-3-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)benzamide
PubChem CID110002736
Molecular FormulaC13H17ClFNO3
Molecular Weight289.73 g/mol
Exact Mass289.09
IUPAC Name2-chloro-3-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)benzamide
SMILESCOCC(C)(CCO)NC(=O)c1cccc(F)c1Cl
InChIInChI=1S/C13H17ClFNO3/c1-13(6-7-17,8-19-2)16-12(18)9-4-3-5-10(15)11(9)14/h3-5,17H,6-8H2,1-2H3,(H,16,18)
InChIKeyGBJZJPPSJKRIFZ-UHFFFAOYSA-N
XLogP2.00
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.73
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)benzamide
CID 110003172
4-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)benzamide
CID 110002940
2-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-4-(4-methylphenyl)benzamide
CID 110002765
methyl 3-[(2-chloro-3-fluorobenzoyl)amino]-2,2-dimethylpropanoate
CID 71921089
2-chloro-N-(2-cyanopropan-2-yl)-3-fluorobenzamide
CID 79035909
N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-4-methylthiophene-3-carboxamide
CID 110003125
N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-5-methylthiophene-2-carboxamide
CID 110003162
4-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3,5-dimethylbenzamide
CID 110002811
4-chloro-2-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 110002687
methyl 2-[(2-chloro-3-fluorobenzoyl)amino]-3-hydroxypropanoate
CID 81462130
2-chloro-N-(3-cyanopentan-3-yl)-3-fluorobenzamide
CID 81454599
N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)naphthalene-2-carboxamide
CID 110003171

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)benzamide?
The IUPAC name of 2-chloro-3-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)benzamide (CID 110002736) is 2-chloro-3-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)benzamide.
What is the SMILES notation for 2-chloro-3-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)benzamide?
The canonical SMILES for 2-chloro-3-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)benzamide is COCC(C)(CCO)NC(=O)c1cccc(F)c1Cl.
What is the InChIKey of 2-chloro-3-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)benzamide?
The InChIKey is GBJZJPPSJKRIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO3/c1-13(6-7-17,8-19-2)16-12(18)9-4-3-5-10(15)11(9)14/h3-5,17H,6-8H2,1-2H3,(H,16,18).
What are the key properties of 2-chloro-3-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)benzamide?
2-chloro-3-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)benzamide has a molecular weight of 289.73 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)benzamide is sourced from PubChem (CID 110002736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).