2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide

C13H19ClN2O2 — CID 103840160

IUPAC2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide
SMILESCN(C)CC(C)(O)CNC(=O)c1ccccc1Cl
InChIInChI=1S/C13H19ClN2O2/c1-13(18,9-16(2)3)8-15-12(17)10-6-4-5-7-11(10)14/h4-7,18H,8-9H2,1-3H3,(H,15,17)
InChIKeyWPVVEAFDZRPKMU-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.38
Rot. Bonds5

About 2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide

2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide (PubChem CID 103840160) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide
PubChem CID103840160
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide
SMILESCN(C)CC(C)(O)CNC(=O)c1ccccc1Cl
InChIInChI=1S/C13H19ClN2O2/c1-13(18,9-16(2)3)8-15-12(17)10-6-4-5-7-11(10)14/h4-7,18H,8-9H2,1-3H3,(H,15,17)
InChIKeyWPVVEAFDZRPKMU-UHFFFAOYSA-N
XLogP1.38
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-methylbenzamide
CID 103848640
2-chloro-N-(2,3-dihydroxy-2-methylpropyl)benzamide
CID 66170217
2,5-dichloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide
CID 103839782
3-amino-2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide
CID 106139493
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-ethoxybenzamide
CID 103840168
2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-pyridin-2-ylbenzamide
CID 109399583
2-chloro-N-[(2R)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]benzamide
CID 95984298
2-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-fluorobenzamide
CID 106148349
2-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-fluorobenzamide
CID 106143245
N-(2-amino-2-methylpropyl)-2-chlorobenzamide;hydrochloride
CID 119630194
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,6-dimethylbenzamide
CID 103839801
3-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-fluorobenzamide
CID 103840147

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide?
The IUPAC name of 2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide (CID 103840160) is 2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide is CN(C)CC(C)(O)CNC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide?
The InChIKey is WPVVEAFDZRPKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-13(18,9-16(2)3)8-15-12(17)10-6-4-5-7-11(10)14/h4-7,18H,8-9H2,1-3H3,(H,15,17).
What are the key properties of 2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide?
2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide has a molecular weight of 270.76 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide is sourced from PubChem (CID 103840160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).