2,5-dichloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide

C13H18Cl2N2O2 — CID 103839782

IUPAC2,5-dichloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide
SMILESCN(C)CC(C)(O)CNC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H18Cl2N2O2/c1-13(19,8-17(2)3)7-16-12(18)10-6-9(14)4-5-11(10)15/h4-6,19H,7-8H2,1-3H3,(H,16,18)
InChIKeyYMCWHQXUFAWUIR-UHFFFAOYSA-N
MW305.20 g/mol
LogP2.04
Rot. Bonds5

About 2,5-dichloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide

2,5-dichloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide (PubChem CID 103839782) has the molecular formula C13H18Cl2N2O2 and a molecular weight of 305.20 g/mol. Its IUPAC name is 2,5-dichloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide
PubChem CID103839782
Molecular FormulaC13H18Cl2N2O2
Molecular Weight305.20 g/mol
Exact Mass304.07
IUPAC Name2,5-dichloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide
SMILESCN(C)CC(C)(O)CNC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H18Cl2N2O2/c1-13(19,8-17(2)3)7-16-12(18)10-6-9(14)4-5-11(10)15/h4-6,19H,7-8H2,1-3H3,(H,16,18)
InChIKeyYMCWHQXUFAWUIR-UHFFFAOYSA-N
XLogP2.04
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.20
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide
CID 103840160
3-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-fluorobenzamide
CID 103840147
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-fluoro-5-methylbenzamide
CID 103839903
2,5-dichloro-N-(3-chloro-2,2-dimethylpropyl)benzamide
CID 115364431
N-(3-bromo-2,2-dimethylpropyl)-2,5-dichlorobenzamide
CID 115364763
2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-pyridin-2-ylbenzamide
CID 109399583
5-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-fluorobenzamide
CID 103839807
2,5-dichloro-N-(2-hydroxy-2-methyl-4-phenylbutyl)benzamide
CID 90498520
2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-methylbenzamide
CID 103848640
5-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(methylamino)benzamide
CID 62187110
3-(2,4-dichlorophenyl)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide
CID 103839553
3-amino-2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide
CID 106139493

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide?
The IUPAC name of 2,5-dichloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide (CID 103839782) is 2,5-dichloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide.
What is the SMILES notation for 2,5-dichloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide?
The canonical SMILES for 2,5-dichloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide is CN(C)CC(C)(O)CNC(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide?
The InChIKey is YMCWHQXUFAWUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O2/c1-13(19,8-17(2)3)7-16-12(18)10-6-9(14)4-5-11(10)15/h4-6,19H,7-8H2,1-3H3,(H,16,18).
What are the key properties of 2,5-dichloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide?
2,5-dichloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide has a molecular weight of 305.20 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide is sourced from PubChem (CID 103839782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).