4-bromo-N-butyl-2-methoxy-N-methylbenzamide

C13H18BrNO2 — CID 78987650

IUPAC4-bromo-N-butyl-2-methoxy-N-methylbenzamide
SMILESCCCCN(C)C(=O)c1ccc(Br)cc1OC
InChIInChI=1S/C13H18BrNO2/c1-4-5-8-15(2)13(16)11-7-6-10(14)9-12(11)17-3/h6-7,9H,4-5,8H2,1-3H3
InChIKeyBZEPDFRRMMLGGQ-UHFFFAOYSA-N
MW300.20 g/mol
LogP3.33
Rot. Bonds5

About 4-bromo-N-butyl-2-methoxy-N-methylbenzamide

4-bromo-N-butyl-2-methoxy-N-methylbenzamide (PubChem CID 78987650) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 4-bromo-N-butyl-2-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name4-bromo-N-butyl-2-methoxy-N-methylbenzamide
PubChem CID78987650
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name4-bromo-N-butyl-2-methoxy-N-methylbenzamide
SMILESCCCCN(C)C(=O)c1ccc(Br)cc1OC
InChIInChI=1S/C13H18BrNO2/c1-4-5-8-15(2)13(16)11-7-6-10(14)9-12(11)17-3/h6-7,9H,4-5,8H2,1-3H3
InChIKeyBZEPDFRRMMLGGQ-UHFFFAOYSA-N
XLogP3.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-methoxy-N-(3-methoxypropyl)-N-methylbenzamide
CID 78987861
4-[(4-bromo-2-methoxybenzoyl)-methylamino]butanoic acid
CID 81360925
4-bromo-N-(2-chloroethyl)-2-methoxy-N-methylbenzamide
CID 115370131
4-bromo-N-(2-ethoxyethyl)-2-methoxy-N-methylbenzamide
CID 113296075
4-bromo-2-methoxy-N-methyl-N-(3,3,3-trifluoropropyl)benzamide
CID 78987855
N-butyl-2-methoxy-N,4,5-trimethylbenzamide
CID 110761549
5-bromo-N-butyl-N,2-dimethylbenzamide
CID 65306915
4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-2-methoxy-N-methylbenzamide
CID 78988590
5-bromo-N-butyl-2-chloro-N-methylbenzamide
CID 60653969
4-bromo-N-[(3-chlorocyclobutyl)methyl]-2-methoxy-N-methylbenzamide
CID 113296210
N-[2-(4-bromophenoxy)ethyl]-2,4-dimethoxy-N-methylbenzamide
CID 112793987
N-butyl-2,3-dimethoxy-N-methylbenzamide
CID 78796146

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-butyl-2-methoxy-N-methylbenzamide?
The IUPAC name of 4-bromo-N-butyl-2-methoxy-N-methylbenzamide (CID 78987650) is 4-bromo-N-butyl-2-methoxy-N-methylbenzamide.
What is the SMILES notation for 4-bromo-N-butyl-2-methoxy-N-methylbenzamide?
The canonical SMILES for 4-bromo-N-butyl-2-methoxy-N-methylbenzamide is CCCCN(C)C(=O)c1ccc(Br)cc1OC.
What is the InChIKey of 4-bromo-N-butyl-2-methoxy-N-methylbenzamide?
The InChIKey is BZEPDFRRMMLGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-4-5-8-15(2)13(16)11-7-6-10(14)9-12(11)17-3/h6-7,9H,4-5,8H2,1-3H3.
What are the key properties of 4-bromo-N-butyl-2-methoxy-N-methylbenzamide?
4-bromo-N-butyl-2-methoxy-N-methylbenzamide has a molecular weight of 300.20 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-butyl-2-methoxy-N-methylbenzamide is sourced from PubChem (CID 78987650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).