4-bromo-3-hydroxy-N-methyl-N-(2-propan-2-yloxyethyl)benzamide

C13H18BrNO3 — CID 103873795

IUPAC4-bromo-3-hydroxy-N-methyl-N-(2-propan-2-yloxyethyl)benzamide
SMILESCC(C)OCCN(C)C(=O)c1ccc(Br)c(O)c1
InChIInChI=1S/C13H18BrNO3/c1-9(2)18-7-6-15(3)13(17)10-4-5-11(14)12(16)8-10/h4-5,8-9,16H,6-7H2,1-3H3
InChIKeyCHQBAUCOBICIIW-UHFFFAOYSA-N
MW316.19 g/mol
LogP2.65
Rot. Bonds5

About 4-bromo-3-hydroxy-N-methyl-N-(2-propan-2-yloxyethyl)benzamide

4-bromo-3-hydroxy-N-methyl-N-(2-propan-2-yloxyethyl)benzamide (PubChem CID 103873795) has the molecular formula C13H18BrNO3 and a molecular weight of 316.19 g/mol. Its IUPAC name is 4-bromo-3-hydroxy-N-methyl-N-(2-propan-2-yloxyethyl)benzamide.

Molecular Properties

Compound Name4-bromo-3-hydroxy-N-methyl-N-(2-propan-2-yloxyethyl)benzamide
PubChem CID103873795
Molecular FormulaC13H18BrNO3
Molecular Weight316.19 g/mol
Exact Mass315.05
IUPAC Name4-bromo-3-hydroxy-N-methyl-N-(2-propan-2-yloxyethyl)benzamide
SMILESCC(C)OCCN(C)C(=O)c1ccc(Br)c(O)c1
InChIInChI=1S/C13H18BrNO3/c1-9(2)18-7-6-15(3)13(17)10-4-5-11(14)12(16)8-10/h4-5,8-9,16H,6-7H2,1-3H3
InChIKeyCHQBAUCOBICIIW-UHFFFAOYSA-N
XLogP2.65
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.19
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,4-dimethyl-N-(2-propan-2-yloxyethyl)-3-sulfamoylbenzamide
CID 80718372
2-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-4-carboxamide
CID 80710277
5-bromo-N,2-dimethyl-N-(2-propan-2-yloxyethyl)benzamide
CID 80709255
5-bromo-2-chloro-N-methyl-N-(2-propan-2-yloxyethyl)benzamide
CID 80709080
3-bromo-N,2-dimethyl-N-(2-propan-2-yloxyethyl)benzamide
CID 80710198
5-[methyl(2-propan-2-yloxyethyl)carbamoyl]pyridine-2-carboxylic acid
CID 80710135
2-[(4-bromo-3-hydroxybenzoyl)-propan-2-ylamino]acetic acid
CID 114103223
6-hydrazinyl-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide
CID 81074943
4-bromo-3-hydroxy-N,N-bis(2-hydroxyethyl)benzamide
CID 103957673
4-bromo-3-ethoxy-N-(2-hydroxyethyl)-N-methylbenzamide
CID 67216147
3-bromo-4-fluoro-N-(2-methoxyethyl)-N-methylbenzamide
CID 103706992
4-bromo-N-[2-(4-chlorophenoxy)ethyl]-3-fluoro-N-methylbenzamide
CID 60589214

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-hydroxy-N-methyl-N-(2-propan-2-yloxyethyl)benzamide?
The IUPAC name of 4-bromo-3-hydroxy-N-methyl-N-(2-propan-2-yloxyethyl)benzamide (CID 103873795) is 4-bromo-3-hydroxy-N-methyl-N-(2-propan-2-yloxyethyl)benzamide.
What is the SMILES notation for 4-bromo-3-hydroxy-N-methyl-N-(2-propan-2-yloxyethyl)benzamide?
The canonical SMILES for 4-bromo-3-hydroxy-N-methyl-N-(2-propan-2-yloxyethyl)benzamide is CC(C)OCCN(C)C(=O)c1ccc(Br)c(O)c1.
What is the InChIKey of 4-bromo-3-hydroxy-N-methyl-N-(2-propan-2-yloxyethyl)benzamide?
The InChIKey is CHQBAUCOBICIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO3/c1-9(2)18-7-6-15(3)13(17)10-4-5-11(14)12(16)8-10/h4-5,8-9,16H,6-7H2,1-3H3.
What are the key properties of 4-bromo-3-hydroxy-N-methyl-N-(2-propan-2-yloxyethyl)benzamide?
4-bromo-3-hydroxy-N-methyl-N-(2-propan-2-yloxyethyl)benzamide has a molecular weight of 316.19 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-hydroxy-N-methyl-N-(2-propan-2-yloxyethyl)benzamide is sourced from PubChem (CID 103873795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).