3-bromo-2,5-dimethoxy-N-(2-methylpropyl)benzamide

C13H18BrNO3 — CID 24625138

IUPAC3-bromo-2,5-dimethoxy-N-(2-methylpropyl)benzamide
SMILESCOc1cc(Br)c(OC)c(C(=O)NCC(C)C)c1
InChIInChI=1S/C13H18BrNO3/c1-8(2)7-15-13(16)10-5-9(17-3)6-11(14)12(10)18-4/h5-6,8H,7H2,1-4H3,(H,15,16)
InChIKeyJYAWBEUMJGFSMY-UHFFFAOYSA-N
MW316.20 g/mol
LogP2.85
Rot. Bonds5

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

3-bromo-2,5-dimethoxy-N-(2-methylpropyl)benzamide (PubChem CID 24625138) has the molecular formula C13H18BrNO3 and a molecular weight of 316.20 g/mol. Its IUPAC name is 3-bromo-2,5-dimethoxy-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name3-bromo-2,5-dimethoxy-N-(2-methylpropyl)benzamide
PubChem CID24625138
Molecular FormulaC13H18BrNO3
Molecular Weight316.20 g/mol
Exact Mass315.05
IUPAC Name3-bromo-2,5-dimethoxy-N-(2-methylpropyl)benzamide
SMILESCOc1cc(Br)c(OC)c(C(=O)NCC(C)C)c1
InChIInChI=1S/C13H18BrNO3/c1-8(2)7-15-13(16)10-5-9(17-3)6-11(14)12(10)18-4/h5-6,8H,7H2,1-4H3,(H,15,16)
InChIKeyJYAWBEUMJGFSMY-UHFFFAOYSA-N
XLogP2.85
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-butan-2-yl-2,5-dimethoxybenzamide
CID 24638571
3-bromo-N-[(2R)-1-hydroxypropan-2-yl]-2,5-dimethoxybenzamide
CID 79027472
3-bromo-N-(4-hydroxybutyl)-2,5-dimethoxybenzamide
CID 106843728
3-bromo-N,2,5-trimethoxybenzamide
CID 60713137
ethyl 2-[(3-bromo-2,5-dimethoxybenzoyl)amino]acetate
CID 47257365
3-bromo-2,5-dimethoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
CID 24625048
(2S)-2-[(3-bromo-2,5-dimethoxybenzoyl)amino]-3-methylbutanoic acid
CID 61137053
3-bromo-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2,5-dimethoxybenzamide
CID 80717764
3-bromo-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,5-dimethoxybenzamide
CID 107844964
3-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-2,5-dimethoxybenzamide
CID 25482014
3-bromo-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,5-dimethoxybenzamide
CID 106179978
3-bromo-2-methoxy-5-(2-methylpropylcarbamoyl)benzenesulfonyl chloride
CID 65367557

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2,5-dimethoxy-N-(2-methylpropyl)benzamide?
The IUPAC name of 3-bromo-2,5-dimethoxy-N-(2-methylpropyl)benzamide (CID 24625138) is 3-bromo-2,5-dimethoxy-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 3-bromo-2,5-dimethoxy-N-(2-methylpropyl)benzamide?
The canonical SMILES for 3-bromo-2,5-dimethoxy-N-(2-methylpropyl)benzamide is COc1cc(Br)c(OC)c(C(=O)NCC(C)C)c1.
What is the InChIKey of 3-bromo-2,5-dimethoxy-N-(2-methylpropyl)benzamide?
The InChIKey is JYAWBEUMJGFSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO3/c1-8(2)7-15-13(16)10-5-9(17-3)6-11(14)12(10)18-4/h5-6,8H,7H2,1-4H3,(H,15,16).
What are the key properties of 3-bromo-2,5-dimethoxy-N-(2-methylpropyl)benzamide?
3-bromo-2,5-dimethoxy-N-(2-methylpropyl)benzamide has a molecular weight of 316.20 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2,5-dimethoxy-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 24625138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).