3-bromo-N-(2-hydroxy-2-methylpropyl)-2,5-dimethoxy-N-methylbenzamide

C14H20BrNO4 — CID 79380613

IUPAC3-bromo-N-(2-hydroxy-2-methylpropyl)-2,5-dimethoxy-N-methylbenzamide
SMILESCOc1cc(Br)c(OC)c(C(=O)N(C)CC(C)(C)O)c1
InChIInChI=1S/C14H20BrNO4/c1-14(2,18)8-16(3)13(17)10-6-9(19-4)7-11(15)12(10)20-5/h6-7,18H,8H2,1-5H3
InChIKeyUMOHIVSARKUODC-UHFFFAOYSA-N
MW346.22 g/mol
LogP2.31
Rot. Bonds5

About 3-bromo-N-(2-hydroxy-2-methylpropyl)-2,5-dimethoxy-N-methylbenzamide

3-bromo-N-(2-hydroxy-2-methylpropyl)-2,5-dimethoxy-N-methylbenzamide (PubChem CID 79380613) has the molecular formula C14H20BrNO4 and a molecular weight of 346.22 g/mol. Its IUPAC name is 3-bromo-N-(2-hydroxy-2-methylpropyl)-2,5-dimethoxy-N-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-(2-hydroxy-2-methylpropyl)-2,5-dimethoxy-N-methylbenzamide
PubChem CID79380613
Molecular FormulaC14H20BrNO4
Molecular Weight346.22 g/mol
Exact Mass345.06
IUPAC Name3-bromo-N-(2-hydroxy-2-methylpropyl)-2,5-dimethoxy-N-methylbenzamide
SMILESCOc1cc(Br)c(OC)c(C(=O)N(C)CC(C)(C)O)c1
InChIInChI=1S/C14H20BrNO4/c1-14(2,18)8-16(3)13(17)10-6-9(19-4)7-11(15)12(10)20-5/h6-7,18H,8H2,1-5H3
InChIKeyUMOHIVSARKUODC-UHFFFAOYSA-N
XLogP2.31
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[2-(diethylamino)-2-oxoethyl]-2,5-dimethoxy-N-methylbenzamide
CID 39948024
3-bromo-N-(1H-imidazol-2-ylmethyl)-2,5-dimethoxy-N-methylbenzamide
CID 63939460
3-bromo-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,5-dimethoxybenzamide
CID 106179978
3,5-dibromo-2-methoxy-N,N-dimethylbenzamide
CID 50850191
3-bromo-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,5-dimethoxybenzamide
CID 107844964
3-bromo-2,5-dimethoxy-N-(2-methylpropyl)benzamide
CID 24625138
ethyl 2-[(3-bromo-2,5-dimethoxybenzoyl)amino]acetate
CID 47257365
3-bromo-N,2,5-trimethoxybenzamide
CID 60713137
N-(2-hydroxy-2-methylpropyl)-2-(4-methoxyanilino)-N-methylbenzamide
CID 111663042
5-amino-N-(2-hydroxy-2-methylpropyl)-N,2,4-trimethylbenzamide
CID 102705736
4-amino-5-chloro-N-(2-hydroxy-2-methylpropyl)-2-methoxy-N-methylbenzamide
CID 90103674
3-bromo-N-(4-hydroxybutyl)-2,5-dimethoxybenzamide
CID 106843728

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-hydroxy-2-methylpropyl)-2,5-dimethoxy-N-methylbenzamide?
The IUPAC name of 3-bromo-N-(2-hydroxy-2-methylpropyl)-2,5-dimethoxy-N-methylbenzamide (CID 79380613) is 3-bromo-N-(2-hydroxy-2-methylpropyl)-2,5-dimethoxy-N-methylbenzamide.
What is the SMILES notation for 3-bromo-N-(2-hydroxy-2-methylpropyl)-2,5-dimethoxy-N-methylbenzamide?
The canonical SMILES for 3-bromo-N-(2-hydroxy-2-methylpropyl)-2,5-dimethoxy-N-methylbenzamide is COc1cc(Br)c(OC)c(C(=O)N(C)CC(C)(C)O)c1.
What is the InChIKey of 3-bromo-N-(2-hydroxy-2-methylpropyl)-2,5-dimethoxy-N-methylbenzamide?
The InChIKey is UMOHIVSARKUODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO4/c1-14(2,18)8-16(3)13(17)10-6-9(19-4)7-11(15)12(10)20-5/h6-7,18H,8H2,1-5H3.
What are the key properties of 3-bromo-N-(2-hydroxy-2-methylpropyl)-2,5-dimethoxy-N-methylbenzamide?
3-bromo-N-(2-hydroxy-2-methylpropyl)-2,5-dimethoxy-N-methylbenzamide has a molecular weight of 346.22 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-hydroxy-2-methylpropyl)-2,5-dimethoxy-N-methylbenzamide is sourced from PubChem (CID 79380613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).