2-chloro-6-fluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide

C13H17ClFNO2 — CID 113254965

IUPAC2-chloro-6-fluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
SMILESCC(C)C(CCO)NC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C13H17ClFNO2/c1-8(2)11(6-7-17)16-13(18)12-9(14)4-3-5-10(12)15/h3-5,8,11,17H,6-7H2,1-2H3,(H,16,18)
InChIKeyCEDLQUDFLFVLDP-UHFFFAOYSA-N
MW273.73 g/mol
LogP2.62
Rot. Bonds5

About 2-chloro-6-fluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide

2-chloro-6-fluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide (PubChem CID 113254965) has the molecular formula C13H17ClFNO2 and a molecular weight of 273.73 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
PubChem CID113254965
Molecular FormulaC13H17ClFNO2
Molecular Weight273.73 g/mol
Exact Mass273.09
IUPAC Name2-chloro-6-fluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
SMILESCC(C)C(CCO)NC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C13H17ClFNO2/c1-8(2)11(6-7-17)16-13(18)12-9(14)4-3-5-10(12)15/h3-5,8,11,17H,6-7H2,1-2H3,(H,16,18)
InChIKeyCEDLQUDFLFVLDP-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

2,6-dichloro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 103782454
2-chloro-6-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzamide
CID 79252320
2-amino-6-chloro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 114176666
2,3-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 103751041
2,6-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79253084
N-(1-chloro-3-methylbutan-2-yl)-2,6-difluorobenzamide
CID 114305446
2-chloro-6-fluoro-N-heptan-2-ylbenzamide
CID 78789535
2-chloro-6-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 103920045
N-[(2S)-1-aminopropan-2-yl]-2-chloro-6-fluorobenzamide;hydrochloride
CID 120508040
2-chloro-4-fluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 103750829
(2S)-2-[(2-chloro-6-fluorobenzoyl)amino]butanoic acid
CID 42255188
3-chloro-N-(1-hydroxy-4-methylpentan-3-yl)-2-nitrobenzamide
CID 103782440

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide (CID 113254965) is 2-chloro-6-fluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide is CC(C)C(CCO)NC(=O)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide?
The InChIKey is CEDLQUDFLFVLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO2/c1-8(2)11(6-7-17)16-13(18)12-9(14)4-3-5-10(12)15/h3-5,8,11,17H,6-7H2,1-2H3,(H,16,18).
What are the key properties of 2-chloro-6-fluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide?
2-chloro-6-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-6-fluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide is sourced from PubChem (CID 113254965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).