3,5-dichloro-N-(2-hydroxy-4-methylpentyl)benzamide

C13H17Cl2NO2 — CID 103770831

IUPAC3,5-dichloro-N-(2-hydroxy-4-methylpentyl)benzamide
SMILESCC(C)CC(O)CNC(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H17Cl2NO2/c1-8(2)3-12(17)7-16-13(18)9-4-10(14)6-11(15)5-9/h4-6,8,12,17H,3,7H2,1-2H3,(H,16,18)
InChIKeyHLTVQERRVBCAGC-UHFFFAOYSA-N
MW290.19 g/mol
LogP3.13
Rot. Bonds5

About 3,5-dichloro-N-(2-hydroxy-4-methylpentyl)benzamide

3,5-dichloro-N-(2-hydroxy-4-methylpentyl)benzamide (PubChem CID 103770831) has the molecular formula C13H17Cl2NO2 and a molecular weight of 290.19 g/mol. Its IUPAC name is 3,5-dichloro-N-(2-hydroxy-4-methylpentyl)benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-(2-hydroxy-4-methylpentyl)benzamide
PubChem CID103770831
Molecular FormulaC13H17Cl2NO2
Molecular Weight290.19 g/mol
Exact Mass289.06
IUPAC Name3,5-dichloro-N-(2-hydroxy-4-methylpentyl)benzamide
SMILESCC(C)CC(O)CNC(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H17Cl2NO2/c1-8(2)3-12(17)7-16-13(18)9-4-10(14)6-11(15)5-9/h4-6,8,12,17H,3,7H2,1-2H3,(H,16,18)
InChIKeyHLTVQERRVBCAGC-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-chloro-N-(2-hydroxy-4-methylpentyl)-5-nitrobenzamide
CID 103770934
2-chloro-N-(2-hydroxy-4-methylpentyl)-6-methylpyridine-4-carboxamide
CID 104955122
3-chloro-N-(2-hydroxy-4-methylpentyl)-4-methylbenzamide
CID 103770930
3-bromo-4-chloro-N-(2-hydroxy-4-methylpentyl)benzamide
CID 103842950
4-chloro-2-hydroxy-N-(2-hydroxy-4-methylpentyl)benzamide
CID 103819904
(E)-3-(3,5-dichlorophenyl)-N-(2-hydroxy-4-methylpentyl)prop-2-enamide
CID 103771463
N-(3-amino-2-methylpropyl)-3,5-dichlorobenzamide;hydrochloride
CID 119996487
N-(2-hydroxy-4-methylpentyl)pyrimidine-5-carboxamide
CID 104629610
4-tert-butyl-N-(2-hydroxy-4-methylpentyl)benzamide
CID 103771049
3,5-dichloro-N-(4-hydroxy-2-methylbutyl)benzamide
CID 66106434
3-bromo-5-chloro-N-[(2S)-2-hydroxypropyl]benzamide
CID 103884654
4-ethyl-N-(2-hydroxy-4-methylpentyl)benzamide
CID 113258694

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(2-hydroxy-4-methylpentyl)benzamide?
The IUPAC name of 3,5-dichloro-N-(2-hydroxy-4-methylpentyl)benzamide (CID 103770831) is 3,5-dichloro-N-(2-hydroxy-4-methylpentyl)benzamide.
What is the SMILES notation for 3,5-dichloro-N-(2-hydroxy-4-methylpentyl)benzamide?
The canonical SMILES for 3,5-dichloro-N-(2-hydroxy-4-methylpentyl)benzamide is CC(C)CC(O)CNC(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-(2-hydroxy-4-methylpentyl)benzamide?
The InChIKey is HLTVQERRVBCAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO2/c1-8(2)3-12(17)7-16-13(18)9-4-10(14)6-11(15)5-9/h4-6,8,12,17H,3,7H2,1-2H3,(H,16,18).
What are the key properties of 3,5-dichloro-N-(2-hydroxy-4-methylpentyl)benzamide?
3,5-dichloro-N-(2-hydroxy-4-methylpentyl)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-(2-hydroxy-4-methylpentyl)benzamide is sourced from PubChem (CID 103770831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).