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

C13H17ClFNO2 — CID 103750829

IUPAC2-chloro-4-fluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
SMILESCC(C)C(CCO)NC(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C13H17ClFNO2/c1-8(2)12(5-6-17)16-13(18)10-4-3-9(15)7-11(10)14/h3-4,7-8,12,17H,5-6H2,1-2H3,(H,16,18)
InChIKeyJIYCAXNYBKHEFW-UHFFFAOYSA-N
MW273.73 g/mol
LogP2.62
Rot. Bonds5

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

2-chloro-4-fluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide (PubChem CID 103750829) has the molecular formula C13H17ClFNO2 and a molecular weight of 273.73 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
PubChem CID103750829
Molecular FormulaC13H17ClFNO2
Molecular Weight273.73 g/mol
Exact Mass273.09
IUPAC Name2-chloro-4-fluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
SMILESCC(C)C(CCO)NC(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C13H17ClFNO2/c1-8(2)12(5-6-17)16-13(18)10-4-3-9(15)7-11(10)14/h3-4,7-8,12,17H,5-6H2,1-2H3,(H,16,18)
InChIKeyJIYCAXNYBKHEFW-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-2-hydroxy-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 103852374
(2R)-2-[(2-chloro-4-fluorobenzoyl)amino]-4-hydroxybutanoic acid
CID 114005057
N-(1-chloro-4-methylpentan-3-yl)-2,4-difluorobenzamide
CID 106354787
N-[(2R)-1-aminopropan-2-yl]-2-chloro-4-fluorobenzamide
CID 104873137
2-chloro-4-fluoro-N-(3-oxobutan-2-yl)benzamide
CID 64997029
N-(3-aminobutyl)-2-chloro-4-fluorobenzamide
CID 63254096
2,3-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 103751041
2-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-4-fluorobenzamide
CID 47112870
2-chloro-6-fluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 113254965
2,6-dichloro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 103782454
2-chloro-N-[1-(2,5-difluorophenyl)ethyl]-4-fluorobenzamide
CID 46591256
N-(1-aminobutan-2-yl)-2-chloro-4-fluorobenzamide
CID 65193733

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide?
The IUPAC name of 2-chloro-4-fluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide (CID 103750829) is 2-chloro-4-fluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide is CC(C)C(CCO)NC(=O)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide?
The InChIKey is JIYCAXNYBKHEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO2/c1-8(2)12(5-6-17)16-13(18)10-4-3-9(15)7-11(10)14/h3-4,7-8,12,17H,5-6H2,1-2H3,(H,16,18).
What are the key properties of 2-chloro-4-fluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide?
2-chloro-4-fluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide has a molecular weight of 273.73 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide is sourced from PubChem (CID 103750829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).