3,5-dichloro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide

C13H17Cl2NO2 — CID 113254978

IUPAC3,5-dichloro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
SMILESCC(C)C(CCO)NC(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H17Cl2NO2/c1-8(2)12(3-4-17)16-13(18)9-5-10(14)7-11(15)6-9/h5-8,12,17H,3-4H2,1-2H3,(H,16,18)
InChIKeySMYDSYZOOFZGCW-UHFFFAOYSA-N
MW290.19 g/mol
LogP3.13
Rot. Bonds5

About 3,5-dichloro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide

3,5-dichloro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide (PubChem CID 113254978) has the molecular formula C13H17Cl2NO2 and a molecular weight of 290.19 g/mol. Its IUPAC name is 3,5-dichloro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
PubChem CID113254978
Molecular FormulaC13H17Cl2NO2
Molecular Weight290.19 g/mol
Exact Mass289.06
IUPAC Name3,5-dichloro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
SMILESCC(C)C(CCO)NC(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H17Cl2NO2/c1-8(2)12(3-4-17)16-13(18)9-5-10(14)7-11(15)6-9/h5-8,12,17H,3-4H2,1-2H3,(H,16,18)
InChIKeySMYDSYZOOFZGCW-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

3,5-dichloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79252918
N-(1-bromo-3-methylbutan-2-yl)-3,5-dichlorobenzamide
CID 114316290
3-chloro-N-(1-chloro-4-methylpentan-3-yl)-5-methylbenzamide
CID 106355004
N-(3,5-dichlorophenyl)-N'-(1-hydroxy-4-methylpentan-3-yl)oxamide
CID 111798695
3,4-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 113254979
3-chloro-N-(1-hydroxy-4-methylpentan-3-yl)-4,5-dimethoxybenzamide
CID 103759053
3-bromo-N-(1-hydroxy-4-methylpentan-3-yl)-5-methylbenzamide
CID 104860295
2-[(3,5-dichlorobenzoyl)amino]-4-hydroxybutanoic acid
CID 61243638
N-(1-hydroxy-4-methylpentan-3-yl)pyrimidine-5-carboxamide
CID 104629427
3,5-dichloro-N-(4-hydroxy-2-methylbutyl)benzamide
CID 66106434
3-bromo-5-chloro-N-(1-chloro-3-methylbutan-2-yl)benzamide
CID 107941583
2,6-dichloro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 103782454

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide?
The IUPAC name of 3,5-dichloro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide (CID 113254978) is 3,5-dichloro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide.
What is the SMILES notation for 3,5-dichloro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide?
The canonical SMILES for 3,5-dichloro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide is CC(C)C(CCO)NC(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide?
The InChIKey is SMYDSYZOOFZGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO2/c1-8(2)12(3-4-17)16-13(18)9-5-10(14)7-11(15)6-9/h5-8,12,17H,3-4H2,1-2H3,(H,16,18).
What are the key properties of 3,5-dichloro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide?
3,5-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 3,5-dichloro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide is sourced from PubChem (CID 113254978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).