6-bromo-N,N-diethyl-3-methoxy-2-methylbenzamide

C13H18BrNO2 — CID 171369272

IUPAC6-bromo-N,N-diethyl-3-methoxy-2-methylbenzamide
SMILESCCN(CC)C(=O)c1c(Br)ccc(OC)c1C
InChIInChI=1S/C13H18BrNO2/c1-5-15(6-2)13(16)12-9(3)11(17-4)8-7-10(12)14/h7-8H,5-6H2,1-4H3
InChIKeyKMFQPJSXHFLKTE-UHFFFAOYSA-N
MW300.20 g/mol
LogP3.25
Rot. Bonds4

About 6-bromo-N,N-diethyl-3-methoxy-2-methylbenzamide

6-bromo-N,N-diethyl-3-methoxy-2-methylbenzamide (PubChem CID 171369272) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 6-bromo-N,N-diethyl-3-methoxy-2-methylbenzamide.

Molecular Properties

Compound Name6-bromo-N,N-diethyl-3-methoxy-2-methylbenzamide
PubChem CID171369272
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name6-bromo-N,N-diethyl-3-methoxy-2-methylbenzamide
SMILESCCN(CC)C(=O)c1c(Br)ccc(OC)c1C
InChIInChI=1S/C13H18BrNO2/c1-5-15(6-2)13(16)12-9(3)11(17-4)8-7-10(12)14/h7-8H,5-6H2,1-4H3
InChIKeyKMFQPJSXHFLKTE-UHFFFAOYSA-N
XLogP3.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-3-methoxy-6-methyl-2-trimethylsilylbenzamide
CID 15916001
3-bromo-N-ethyl-4-methoxy-N-propylbenzamide
CID 60738275
N,N-diethyl-4-methoxy-3-methylbenzamide
CID 10353462
3-bromo-N-butyl-N-ethyl-4-methoxybenzamide
CID 60667723
methyl 6-bromo-3-ethoxy-2-methylbenzoate
CID 86723776
5-bromo-N-[4-(diethylcarbamoyl)phenyl]-2-methoxybenzamide
CID 17196839
N-benzyl-3-bromo-N-ethyl-4-methoxybenzamide
CID 60660630
ethyl 2-(3,6-dimethoxy-2-methylphenyl)-2-oxoacetate
CID 117383449
methyl 3,6-dimethoxy-2-methylbenzoate
CID 10536412
N,N-diethyl-4-methoxy-2-methyl-1H-indole-3-carboxamide
CID 110855129
4-bromo-N,N-diethyl-3-methylbenzamide
CID 18960573
2-acetyl-N,N-diethyl-3-methoxybenzamide
CID 19802545

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N,N-diethyl-3-methoxy-2-methylbenzamide?
The IUPAC name of 6-bromo-N,N-diethyl-3-methoxy-2-methylbenzamide (CID 171369272) is 6-bromo-N,N-diethyl-3-methoxy-2-methylbenzamide.
What is the SMILES notation for 6-bromo-N,N-diethyl-3-methoxy-2-methylbenzamide?
The canonical SMILES for 6-bromo-N,N-diethyl-3-methoxy-2-methylbenzamide is CCN(CC)C(=O)c1c(Br)ccc(OC)c1C.
What is the InChIKey of 6-bromo-N,N-diethyl-3-methoxy-2-methylbenzamide?
The InChIKey is KMFQPJSXHFLKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-5-15(6-2)13(16)12-9(3)11(17-4)8-7-10(12)14/h7-8H,5-6H2,1-4H3.
What are the key properties of 6-bromo-N,N-diethyl-3-methoxy-2-methylbenzamide?
6-bromo-N,N-diethyl-3-methoxy-2-methylbenzamide has a molecular weight of 300.20 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N,N-diethyl-3-methoxy-2-methylbenzamide is sourced from PubChem (CID 171369272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).