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

C13H17ClFNO2 — CID 110002687

IUPAC4-chloro-2-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
SMILESCCC(C)(CCO)NC(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C13H17ClFNO2/c1-3-13(2,6-7-17)16-12(18)10-5-4-9(14)8-11(10)15/h4-5,8,17H,3,6-7H2,1-2H3,(H,16,18)
InChIKeyHOIIOSNRNXECLD-UHFFFAOYSA-N
MW273.73 g/mol
LogP2.76
Rot. Bonds5

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

4-chloro-2-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide (PubChem CID 110002687) has the molecular formula C13H17ClFNO2 and a molecular weight of 273.73 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
PubChem CID110002687
Molecular FormulaC13H17ClFNO2
Molecular Weight273.73 g/mol
Exact Mass273.09
IUPAC Name4-chloro-2-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
SMILESCCC(C)(CCO)NC(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C13H17ClFNO2/c1-3-13(2,6-7-17)16-12(18)10-5-4-9(14)8-11(10)15/h4-5,8,17H,3,6-7H2,1-2H3,(H,16,18)
InChIKeyHOIIOSNRNXECLD-UHFFFAOYSA-N
XLogP2.76
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.73
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)benzamide
CID 110003172
4-(dimethylamino)-2-fluoro-N-[(3R)-1-hydroxy-3-methylpentan-3-yl]benzamide
CID 97340435
2,4,5-trifluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 110002324
4-chloro-N-(1-hydroxy-3-methylpentan-3-yl)-2-nitrobenzamide
CID 103945607
2-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)-4-nitrobenzamide
CID 103945514
N-(1-chloro-3-methylpentan-3-yl)-2-fluoro-4-hydroxybenzamide
CID 106168256
2,4-difluoro-N-(1-hydroxy-3-methylpentan-3-yl)-5-methylbenzamide
CID 103945944
4-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 103945880
3,4-difluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 113356518
2-chloro-N-(1-hydroxy-3-methylpentan-3-yl)-5-sulfanylbenzamide
CID 106173291
methyl (2S)-2-[(4-chloro-2-fluorobenzoyl)amino]-2-methylbutanoate
CID 94810009
4-bromo-N-(1-bromo-3-methylpentan-3-yl)-2-fluorobenzamide
CID 106169569

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide?
The IUPAC name of 4-chloro-2-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide (CID 110002687) is 4-chloro-2-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide.
What is the SMILES notation for 4-chloro-2-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide?
The canonical SMILES for 4-chloro-2-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide is CCC(C)(CCO)NC(=O)c1ccc(Cl)cc1F.
What is the InChIKey of 4-chloro-2-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide?
The InChIKey is HOIIOSNRNXECLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO2/c1-3-13(2,6-7-17)16-12(18)10-5-4-9(14)8-11(10)15/h4-5,8,17H,3,6-7H2,1-2H3,(H,16,18).
What are the key properties of 4-chloro-2-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide?
4-chloro-2-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide has a molecular weight of 273.73 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide is sourced from PubChem (CID 110002687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).