2,4,6-tribromo-3-methoxy-N,N-di(propan-2-yl)benzamide

C14H18Br3NO2 — CID 134967493

IUPAC2,4,6-tribromo-3-methoxy-N,N-di(propan-2-yl)benzamide
SMILESCOc1c(Br)cc(Br)c(C(=O)N(C(C)C)C(C)C)c1Br
InChIInChI=1S/C14H18Br3NO2/c1-7(2)18(8(3)4)14(19)11-9(15)6-10(16)13(20-5)12(11)17/h6-8H,1-5H3
InChIKeyAUMYYKAOOBJWEG-UHFFFAOYSA-N
MW472.02 g/mol
LogP5.24
Rot. Bonds4

About 2,4,6-tribromo-3-methoxy-N,N-di(propan-2-yl)benzamide

2,4,6-tribromo-3-methoxy-N,N-di(propan-2-yl)benzamide (PubChem CID 134967493) has the molecular formula C14H18Br3NO2 and a molecular weight of 472.02 g/mol. Its IUPAC name is 2,4,6-tribromo-3-methoxy-N,N-di(propan-2-yl)benzamide.

Molecular Properties

Compound Name2,4,6-tribromo-3-methoxy-N,N-di(propan-2-yl)benzamide
PubChem CID134967493
Molecular FormulaC14H18Br3NO2
Molecular Weight472.02 g/mol
Exact Mass468.89
IUPAC Name2,4,6-tribromo-3-methoxy-N,N-di(propan-2-yl)benzamide
SMILESCOc1c(Br)cc(Br)c(C(=O)N(C(C)C)C(C)C)c1Br
InChIInChI=1S/C14H18Br3NO2/c1-7(2)18(8(3)4)14(19)11-9(15)6-10(16)13(20-5)12(11)17/h6-8H,1-5H3
InChIKeyAUMYYKAOOBJWEG-UHFFFAOYSA-N
XLogP5.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.02
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-anilino-2,6-dibromo-3-methoxy-N,N-di(propan-2-yl)benzamide
CID 134952331
2-(4-bromo-3-methoxynaphthalen-2-yl)-N,N-di(propan-2-yl)benzamide
CID 101159147
2-fluoro-3-iodo-6-methoxy-N,N-di(propan-2-yl)benzamide
CID 146670025
3,5-dibromo-2-methoxy-N,N-dimethylbenzamide
CID 50850191
lithium;(3-bromo-5-chloro-2,6-dimethoxyphenyl)-(2-methylpropylphosphanyl)methanone;hydride
CID 174399366
1-(6-bromo-2,3,4-trimethoxyphenyl)ethanone
CID 117466722
1-(3-bromo-2,5,6-trimethoxyphenyl)ethanone
CID 117466723
2,4-dibromo-3-methoxy-6-methylphenol
CID 11822564
N-(2,4-dibromo-6-fluoro-3-methoxyphenyl)acetamide
CID 86654326
1-(4-bromo-6-chloro-2,3-dimethoxyphenyl)ethanone
CID 117473741
3,5-dibromo-2-hydroxy-4-methoxybenzaldehyde
CID 3506623
3-bromo-5-chloro-2,6-dimethoxybenzoyl chloride
CID 13202164

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tribromo-3-methoxy-N,N-di(propan-2-yl)benzamide?
The IUPAC name of 2,4,6-tribromo-3-methoxy-N,N-di(propan-2-yl)benzamide (CID 134967493) is 2,4,6-tribromo-3-methoxy-N,N-di(propan-2-yl)benzamide.
What is the SMILES notation for 2,4,6-tribromo-3-methoxy-N,N-di(propan-2-yl)benzamide?
The canonical SMILES for 2,4,6-tribromo-3-methoxy-N,N-di(propan-2-yl)benzamide is COc1c(Br)cc(Br)c(C(=O)N(C(C)C)C(C)C)c1Br.
What is the InChIKey of 2,4,6-tribromo-3-methoxy-N,N-di(propan-2-yl)benzamide?
The InChIKey is AUMYYKAOOBJWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Br3NO2/c1-7(2)18(8(3)4)14(19)11-9(15)6-10(16)13(20-5)12(11)17/h6-8H,1-5H3.
What are the key properties of 2,4,6-tribromo-3-methoxy-N,N-di(propan-2-yl)benzamide?
2,4,6-tribromo-3-methoxy-N,N-di(propan-2-yl)benzamide has a molecular weight of 472.02 g/mol, XLogP of 5.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tribromo-3-methoxy-N,N-di(propan-2-yl)benzamide is sourced from PubChem (CID 134967493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).