3-bromo-4-ethoxy-5-methoxy-N,N-dimethylbenzamide

C12H16BrNO3 — CID 78784050

IUPAC3-bromo-4-ethoxy-5-methoxy-N,N-dimethylbenzamide
SMILESCCOc1c(Br)cc(C(=O)N(C)C)cc1OC
InChIInChI=1S/C12H16BrNO3/c1-5-17-11-9(13)6-8(7-10(11)16-4)12(15)14(2)3/h6-7H,5H2,1-4H3
InChIKeyWQMLRTBMRCTMIY-UHFFFAOYSA-N
MW302.17 g/mol
LogP2.56
Rot. Bonds4

About 3-bromo-4-ethoxy-5-methoxy-N,N-dimethylbenzamide

3-bromo-4-ethoxy-5-methoxy-N,N-dimethylbenzamide (PubChem CID 78784050) has the molecular formula C12H16BrNO3 and a molecular weight of 302.17 g/mol. Its IUPAC name is 3-bromo-4-ethoxy-5-methoxy-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-bromo-4-ethoxy-5-methoxy-N,N-dimethylbenzamide
PubChem CID78784050
Molecular FormulaC12H16BrNO3
Molecular Weight302.17 g/mol
Exact Mass301.03
IUPAC Name3-bromo-4-ethoxy-5-methoxy-N,N-dimethylbenzamide
SMILESCCOc1c(Br)cc(C(=O)N(C)C)cc1OC
InChIInChI=1S/C12H16BrNO3/c1-5-17-11-9(13)6-8(7-10(11)16-4)12(15)14(2)3/h6-7H,5H2,1-4H3
InChIKeyWQMLRTBMRCTMIY-UHFFFAOYSA-N
XLogP2.56
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-ethoxy-5-methoxy-N,N-bis(prop-2-enyl)benzamide
CID 94143951
3-bromo-4-ethoxy-N-[(4-ethoxyphenyl)methyl]-5-methoxy-N-methylbenzamide
CID 34865376
3-bromo-4-ethoxy-5-methoxy-N-methyl-N-piperidin-4-ylbenzamide
CID 119441173
3-bromo-4-ethoxy-5-methoxy-N-[2-(methylamino)ethyl]benzamide
CID 119499914
N-(2-amino-2-methylpropyl)-3-bromo-4-ethoxy-5-methoxybenzamide
CID 119625749
3-bromo-4-ethoxy-N-(3-hydroxypropyl)-5-methoxybenzamide
CID 78796502
3-bromo-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-ethoxy-5-methoxybenzamide
CID 31449455
3-bromo-4-ethoxy-5-methoxy-N,N-bis(thiophen-2-ylmethyl)benzamide
CID 31838012
3-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]-4-ethoxy-5-methoxy-N-methylbenzamide
CID 34988962
N-(2-amino-2-ethylbutyl)-3-bromo-4-ethoxy-5-methoxybenzamide
CID 119639659
3-bromo-4-[2-[ethyl(methyl)amino]-2-oxoethoxy]-5-methoxybenzoic acid
CID 43622520
N-benzyl-3-bromo-4-ethoxy-5-methoxybenzamide
CID 5008946

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-ethoxy-5-methoxy-N,N-dimethylbenzamide?
The IUPAC name of 3-bromo-4-ethoxy-5-methoxy-N,N-dimethylbenzamide (CID 78784050) is 3-bromo-4-ethoxy-5-methoxy-N,N-dimethylbenzamide.
What is the SMILES notation for 3-bromo-4-ethoxy-5-methoxy-N,N-dimethylbenzamide?
The canonical SMILES for 3-bromo-4-ethoxy-5-methoxy-N,N-dimethylbenzamide is CCOc1c(Br)cc(C(=O)N(C)C)cc1OC.
What is the InChIKey of 3-bromo-4-ethoxy-5-methoxy-N,N-dimethylbenzamide?
The InChIKey is WQMLRTBMRCTMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO3/c1-5-17-11-9(13)6-8(7-10(11)16-4)12(15)14(2)3/h6-7H,5H2,1-4H3.
What are the key properties of 3-bromo-4-ethoxy-5-methoxy-N,N-dimethylbenzamide?
3-bromo-4-ethoxy-5-methoxy-N,N-dimethylbenzamide has a molecular weight of 302.17 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-ethoxy-5-methoxy-N,N-dimethylbenzamide is sourced from PubChem (CID 78784050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).