2-chloro-3-fluoro-N-(2-hydroxy-3-methylbutyl)benzamide

C12H15ClFNO2 — CID 113268438

IUPAC2-chloro-3-fluoro-N-(2-hydroxy-3-methylbutyl)benzamide
SMILESCC(C)C(O)CNC(=O)c1cccc(F)c1Cl
InChIInChI=1S/C12H15ClFNO2/c1-7(2)10(16)6-15-12(17)8-4-3-5-9(14)11(8)13/h3-5,7,10,16H,6H2,1-2H3,(H,15,17)
InChIKeyPVLCKONNRGILCM-UHFFFAOYSA-N
MW259.71 g/mol
LogP2.23
Rot. Bonds4

About 2-chloro-3-fluoro-N-(2-hydroxy-3-methylbutyl)benzamide

2-chloro-3-fluoro-N-(2-hydroxy-3-methylbutyl)benzamide (PubChem CID 113268438) has the molecular formula C12H15ClFNO2 and a molecular weight of 259.71 g/mol. Its IUPAC name is 2-chloro-3-fluoro-N-(2-hydroxy-3-methylbutyl)benzamide.

Molecular Properties

Compound Name2-chloro-3-fluoro-N-(2-hydroxy-3-methylbutyl)benzamide
PubChem CID113268438
Molecular FormulaC12H15ClFNO2
Molecular Weight259.71 g/mol
Exact Mass259.08
IUPAC Name2-chloro-3-fluoro-N-(2-hydroxy-3-methylbutyl)benzamide
SMILESCC(C)C(O)CNC(=O)c1cccc(F)c1Cl
InChIInChI=1S/C12H15ClFNO2/c1-7(2)10(16)6-15-12(17)8-4-3-5-9(14)11(8)13/h3-5,7,10,16H,6H2,1-2H3,(H,15,17)
InChIKeyPVLCKONNRGILCM-UHFFFAOYSA-N
XLogP2.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.71
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-3-fluoro-N-[(2S)-2-hydroxypropyl]benzamide
CID 83030652
methyl 2-bromo-3-[(2-chloro-3-fluorobenzoyl)amino]propanoate
CID 103492546
4-[(2-chloro-3-fluorobenzoyl)amino]-2-methylbutanoic acid
CID 81453598
2-chloro-3-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 81461590
2-chloro-3-fluoro-N-(1-iodo-3-methylbutan-2-yl)benzamide
CID 107859993
2-fluoro-N-(2-hydroxypropyl)benzamide
CID 43391205
N-(2-chloropropyl)-3-fluoro-2-methylbenzamide
CID 131197905
5-chloro-N-(2-hydroxy-3-methylbutyl)-2-iodobenzamide
CID 113268309
2-[(2-chloro-3-fluorobenzoyl)amino]-3-hydroxybutanoic acid
CID 81453778
N-(2-hydroxy-3-methylbutyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 115701654
N-(1-bromo-4-methylpentan-3-yl)-2-chloro-3-fluorobenzamide
CID 114177751
2-chloro-N-(5-chloropentyl)-3-fluorobenzamide
CID 107321260

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-fluoro-N-(2-hydroxy-3-methylbutyl)benzamide?
The IUPAC name of 2-chloro-3-fluoro-N-(2-hydroxy-3-methylbutyl)benzamide (CID 113268438) is 2-chloro-3-fluoro-N-(2-hydroxy-3-methylbutyl)benzamide.
What is the SMILES notation for 2-chloro-3-fluoro-N-(2-hydroxy-3-methylbutyl)benzamide?
The canonical SMILES for 2-chloro-3-fluoro-N-(2-hydroxy-3-methylbutyl)benzamide is CC(C)C(O)CNC(=O)c1cccc(F)c1Cl.
What is the InChIKey of 2-chloro-3-fluoro-N-(2-hydroxy-3-methylbutyl)benzamide?
The InChIKey is PVLCKONNRGILCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO2/c1-7(2)10(16)6-15-12(17)8-4-3-5-9(14)11(8)13/h3-5,7,10,16H,6H2,1-2H3,(H,15,17).
What are the key properties of 2-chloro-3-fluoro-N-(2-hydroxy-3-methylbutyl)benzamide?
2-chloro-3-fluoro-N-(2-hydroxy-3-methylbutyl)benzamide has a molecular weight of 259.71 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-fluoro-N-(2-hydroxy-3-methylbutyl)benzamide is sourced from PubChem (CID 113268438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).