4-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methylbenzamide

C14H21BrN2O2 — CID 103839610

IUPAC4-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methylbenzamide
SMILESCc1cc(Br)ccc1C(=O)NCC(C)(O)CN(C)C
InChIInChI=1S/C14H21BrN2O2/c1-10-7-11(15)5-6-12(10)13(18)16-8-14(2,19)9-17(3)4/h5-7,19H,8-9H2,1-4H3,(H,16,18)
InChIKeyZYACKBXYLLCDHH-UHFFFAOYSA-N
MW329.24 g/mol
LogP1.80
Rot. Bonds5

About 4-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methylbenzamide

4-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methylbenzamide (PubChem CID 103839610) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is 4-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methylbenzamide.

Molecular Properties

Compound Name4-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methylbenzamide
PubChem CID103839610
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC Name4-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methylbenzamide
SMILESCc1cc(Br)ccc1C(=O)NCC(C)(O)CN(C)C
InChIInChI=1S/C14H21BrN2O2/c1-10-7-11(15)5-6-12(10)13(18)16-8-14(2,19)9-17(3)4/h5-7,19H,8-9H2,1-4H3,(H,16,18)
InChIKeyZYACKBXYLLCDHH-UHFFFAOYSA-N
XLogP1.80
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-hydroxybenzamide
CID 103841103
5-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-fluorobenzamide
CID 103839807
4-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide
CID 113322189
4-bromo-N-(3-chloro-2,2-dimethylpropyl)-2-methylbenzamide
CID 115364523
4-bromo-N-(2-cyano-2-methylpropyl)-2-methylbenzamide
CID 113372737
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,4-dimethylbenzamide
CID 70955109
2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-methylbenzamide
CID 103848640
4-bromo-N-(5-chloro-2,2-dimethylpentyl)-2-methylbenzamide
CID 106144494
5-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]pyridine-2-carboxamide
CID 103840031
2-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-hydroxybenzamide
CID 106139474
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-fluoro-5-methylbenzamide
CID 103839903
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,6-dimethylbenzamide
CID 103839801

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methylbenzamide?
The IUPAC name of 4-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methylbenzamide (CID 103839610) is 4-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methylbenzamide.
What is the SMILES notation for 4-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methylbenzamide?
The canonical SMILES for 4-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methylbenzamide is Cc1cc(Br)ccc1C(=O)NCC(C)(O)CN(C)C.
What is the InChIKey of 4-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methylbenzamide?
The InChIKey is ZYACKBXYLLCDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-10-7-11(15)5-6-12(10)13(18)16-8-14(2,19)9-17(3)4/h5-7,19H,8-9H2,1-4H3,(H,16,18).
What are the key properties of 4-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methylbenzamide?
4-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methylbenzamide has a molecular weight of 329.24 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methylbenzamide is sourced from PubChem (CID 103839610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).