2-bromo-N,4,5-trimethoxy-N-methylbenzamide

C11H14BrNO4 — CID 90127344

IUPAC2-bromo-N,4,5-trimethoxy-N-methylbenzamide
SMILESCOc1cc(Br)c(C(=O)N(C)OC)cc1OC
InChIInChI=1S/C11H14BrNO4/c1-13(17-4)11(14)7-5-9(15-2)10(16-3)6-8(7)12/h5-6H,1-4H3
InChIKeyTUWFTJNCSHNCIZ-UHFFFAOYSA-N
MW304.14 g/mol
LogP2.10
Rot. Bonds4

About 2-bromo-N,4,5-trimethoxy-N-methylbenzamide

2-bromo-N,4,5-trimethoxy-N-methylbenzamide (PubChem CID 90127344) has the molecular formula C11H14BrNO4 and a molecular weight of 304.14 g/mol. Its IUPAC name is 2-bromo-N,4,5-trimethoxy-N-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N,4,5-trimethoxy-N-methylbenzamide
PubChem CID90127344
Molecular FormulaC11H14BrNO4
Molecular Weight304.14 g/mol
Exact Mass303.01
IUPAC Name2-bromo-N,4,5-trimethoxy-N-methylbenzamide
SMILESCOc1cc(Br)c(C(=O)N(C)OC)cc1OC
InChIInChI=1S/C11H14BrNO4/c1-13(17-4)11(14)7-5-9(15-2)10(16-3)6-8(7)12/h5-6H,1-4H3
InChIKeyTUWFTJNCSHNCIZ-UHFFFAOYSA-N
XLogP2.10
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.14
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,2,5,6-tetramethoxy-N-methylpyridine-3-carboxamide
CID 71300148
4-bromo-N-methoxy-N,2,5-trimethylbenzamide
CID 123460356
2-bromo-N-methoxy-N-methylbenzamide
CID 46318655
1-(2-bromo-4,5-dimethoxyphenyl)prop-2-yn-1-one
CID 142747640
4-bromo-2,3-difluoro-N-methoxy-N-methylbenzamide
CID 171366673
(E)-1,3-bis(2-bromo-4,5-dimethoxyphenyl)prop-2-en-1-one
CID 6000582
N,3,5-trimethoxy-N,4-dimethylbenzamide
CID 23137896
(E)-4-(2-bromo-4,5-dimethoxyphenyl)-4-oxobut-2-enoic acid
CID 64717125
(E)-3-(2-bromo-4,5-dimethoxyphenyl)but-2-enoic acid
CID 83959400
1-(2-bromo-4,5-dimethoxyphenyl)-2-(methylamino)ethanone
CID 117464837
2-bromo-4,5-dimethoxybenzenecarbothioamide
CID 60925363
1-(2-bromo-4,5-dimethoxyphenyl)pentan-1-one
CID 43161105

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N,4,5-trimethoxy-N-methylbenzamide?
The IUPAC name of 2-bromo-N,4,5-trimethoxy-N-methylbenzamide (CID 90127344) is 2-bromo-N,4,5-trimethoxy-N-methylbenzamide.
What is the SMILES notation for 2-bromo-N,4,5-trimethoxy-N-methylbenzamide?
The canonical SMILES for 2-bromo-N,4,5-trimethoxy-N-methylbenzamide is COc1cc(Br)c(C(=O)N(C)OC)cc1OC.
What is the InChIKey of 2-bromo-N,4,5-trimethoxy-N-methylbenzamide?
The InChIKey is TUWFTJNCSHNCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO4/c1-13(17-4)11(14)7-5-9(15-2)10(16-3)6-8(7)12/h5-6H,1-4H3.
What are the key properties of 2-bromo-N,4,5-trimethoxy-N-methylbenzamide?
2-bromo-N,4,5-trimethoxy-N-methylbenzamide has a molecular weight of 304.14 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N,4,5-trimethoxy-N-methylbenzamide is sourced from PubChem (CID 90127344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).