2,6-dichloro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide

C13H17Cl2NO2 — CID 103782454

IUPAC2,6-dichloro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
SMILESCC(C)C(CCO)NC(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H17Cl2NO2/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)
InChIKeyYLCNBCNMMMPNPA-UHFFFAOYSA-N
MW290.19 g/mol
LogP3.13
Rot. Bonds5

About 2,6-dichloro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide

2,6-dichloro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide (PubChem CID 103782454) has the molecular formula C13H17Cl2NO2 and a molecular weight of 290.19 g/mol. Its IUPAC name is 2,6-dichloro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
PubChem CID103782454
Molecular FormulaC13H17Cl2NO2
Molecular Weight290.19 g/mol
Exact Mass289.06
IUPAC Name2,6-dichloro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
SMILESCC(C)C(CCO)NC(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H17Cl2NO2/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)
InChIKeyYLCNBCNMMMPNPA-UHFFFAOYSA-N
XLogP3.13
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-6-chloro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 114176666
2-chloro-6-fluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 113254965
2-chloro-6-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzamide
CID 79252320
3-chloro-N-(1-hydroxy-4-methylpentan-3-yl)-2-nitrobenzamide
CID 103782440
3,5-dichloro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 113254978
2,3-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 103751041
2-chloro-4-fluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 103750829
5-chloro-N-(1-hydroxy-4-methylpentan-3-yl)pyridine-2-carboxamide
CID 103782372
2-(2,4-dichlorophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide
CID 103750934
3-chloro-N-(1-chloro-4-methylpentan-3-yl)-2-fluorobenzamide
CID 106354949
ethyl 2-[(2,6-dichlorobenzoyl)amino]propanoate
CID 54960145
2-chloro-N-(1-hydroxy-4-methylpentan-3-yl)acetamide
CID 103881700

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide?
The IUPAC name of 2,6-dichloro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide (CID 103782454) is 2,6-dichloro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide.
What is the SMILES notation for 2,6-dichloro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide?
The canonical SMILES for 2,6-dichloro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide is CC(C)C(CCO)NC(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide?
The InChIKey is YLCNBCNMMMPNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO2/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 2,6-dichloro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide?
2,6-dichloro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide has a molecular weight of 290.19 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide is sourced from PubChem (CID 103782454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).