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

C13H20ClN3O2 — CID 106139493

IUPAC3-amino-2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide
SMILESCN(C)CC(C)(O)CNC(=O)c1cccc(N)c1Cl
InChIInChI=1S/C13H20ClN3O2/c1-13(19,8-17(2)3)7-16-12(18)9-5-4-6-10(15)11(9)14/h4-6,19H,7-8,15H2,1-3H3,(H,16,18)
InChIKeyQQOORSXWNZJBRH-UHFFFAOYSA-N
MW285.77 g/mol
LogP0.96
Rot. Bonds5

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

3-amino-2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide (PubChem CID 106139493) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.77 g/mol. Its IUPAC name is 3-amino-2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide.

Molecular Properties

Compound Name3-amino-2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide
PubChem CID106139493
Molecular FormulaC13H20ClN3O2
Molecular Weight285.77 g/mol
Exact Mass285.12
IUPAC Name3-amino-2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide
SMILESCN(C)CC(C)(O)CNC(=O)c1cccc(N)c1Cl
InChIInChI=1S/C13H20ClN3O2/c1-13(19,8-17(2)3)7-16-12(18)9-5-4-6-10(15)11(9)14/h4-6,19H,7-8,15H2,1-3H3,(H,16,18)
InChIKeyQQOORSXWNZJBRH-UHFFFAOYSA-N
XLogP0.96
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-methylbenzamide
CID 103848640
2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide
CID 103840160
3-amino-2-chloro-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
CID 112576097
2-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-fluorobenzamide
CID 106148349
2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzamide;dihydrochloride
CID 119946092
2-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-hydroxybenzamide
CID 106139474
2,5-dichloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide
CID 103839782
2-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-fluorobenzamide
CID 106143245
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,6-dimethylbenzamide
CID 103839801
3-amino-2-chloro-N-[2-(N-methylanilino)ethyl]benzamide
CID 115930279
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-ethoxybenzamide
CID 103840168
2,3-dichloro-N-[(2S)-2-hydroxy-2-methylbutyl]benzamide
CID 95776247

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide?
The IUPAC name of 3-amino-2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide (CID 106139493) is 3-amino-2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide.
What is the SMILES notation for 3-amino-2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide?
The canonical SMILES for 3-amino-2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide is CN(C)CC(C)(O)CNC(=O)c1cccc(N)c1Cl.
What is the InChIKey of 3-amino-2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide?
The InChIKey is QQOORSXWNZJBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O2/c1-13(19,8-17(2)3)7-16-12(18)9-5-4-6-10(15)11(9)14/h4-6,19H,7-8,15H2,1-3H3,(H,16,18).
What are the key properties of 3-amino-2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide?
3-amino-2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide has a molecular weight of 285.77 g/mol, XLogP of 0.96, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide is sourced from PubChem (CID 106139493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).