5-bromo-N-(2,5-dimethylpyrrol-1-yl)-2-methoxybenzamide

C14H15BrN2O2 — CID 43822440

IUPAC5-bromo-N-(2,5-dimethylpyrrol-1-yl)-2-methoxybenzamide
SMILESCOc1ccc(Br)cc1C(=O)Nn1c(C)ccc1C
InChIInChI=1S/C14H15BrN2O2/c1-9-4-5-10(2)17(9)16-14(18)12-8-11(15)6-7-13(12)19-3/h4-8H,1-3H3,(H,16,18)
InChIKeyDERJGNWOXCYDGR-UHFFFAOYSA-N
MW323.19 g/mol
LogP3.26
Rot. Bonds3

About 5-bromo-N-(2,5-dimethylpyrrol-1-yl)-2-methoxybenzamide

5-bromo-N-(2,5-dimethylpyrrol-1-yl)-2-methoxybenzamide (PubChem CID 43822440) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is 5-bromo-N-(2,5-dimethylpyrrol-1-yl)-2-methoxybenzamide.

Molecular Properties

Compound Name5-bromo-N-(2,5-dimethylpyrrol-1-yl)-2-methoxybenzamide
PubChem CID43822440
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC Name5-bromo-N-(2,5-dimethylpyrrol-1-yl)-2-methoxybenzamide
SMILESCOc1ccc(Br)cc1C(=O)Nn1c(C)ccc1C
InChIInChI=1S/C14H15BrN2O2/c1-9-4-5-10(2)17(9)16-14(18)12-8-11(15)6-7-13(12)19-3/h4-8H,1-3H3,(H,16,18)
InChIKeyDERJGNWOXCYDGR-UHFFFAOYSA-N
XLogP3.26
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-methoxy-N'-methylbenzohydrazide
CID 116846857
1-(5-bromo-2-methoxyphenyl)ethanone
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2-bromo-N-(2,5-dimethylpyrrol-1-yl)-5-methylbenzamide
CID 81110326
5-bromo-N-[8-[(5-bromo-2-methoxybenzoyl)amino]octyl]-2-methoxybenzamide
CID 17233433
5-bromo-N-(4-bromo-2-iodophenyl)-2-methoxybenzamide
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N'-(5-bromo-2-methoxybenzoyl)-3,4-dimethoxybenzohydrazide
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5-bromo-N-(2-chlorophenyl)-2-methoxybenzamide
CID 1121307
(5-bromo-2-methoxyphenyl)-(2,6-dimethoxyphenyl)methanone
CID 43339938
(5-bromo-2-methoxyphenyl)-(2-chlorophenyl)methanone
CID 43339911
5-bromo-N-[4-[4-[(5-bromo-2-methoxybenzoyl)amino]phenoxy]phenyl]-2-methoxybenzamide
CID 17296371
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CID 17094208

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,5-dimethylpyrrol-1-yl)-2-methoxybenzamide?
The IUPAC name of 5-bromo-N-(2,5-dimethylpyrrol-1-yl)-2-methoxybenzamide (CID 43822440) is 5-bromo-N-(2,5-dimethylpyrrol-1-yl)-2-methoxybenzamide.
What is the SMILES notation for 5-bromo-N-(2,5-dimethylpyrrol-1-yl)-2-methoxybenzamide?
The canonical SMILES for 5-bromo-N-(2,5-dimethylpyrrol-1-yl)-2-methoxybenzamide is COc1ccc(Br)cc1C(=O)Nn1c(C)ccc1C.
What is the InChIKey of 5-bromo-N-(2,5-dimethylpyrrol-1-yl)-2-methoxybenzamide?
The InChIKey is DERJGNWOXCYDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c1-9-4-5-10(2)17(9)16-14(18)12-8-11(15)6-7-13(12)19-3/h4-8H,1-3H3,(H,16,18).
What are the key properties of 5-bromo-N-(2,5-dimethylpyrrol-1-yl)-2-methoxybenzamide?
5-bromo-N-(2,5-dimethylpyrrol-1-yl)-2-methoxybenzamide has a molecular weight of 323.19 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,5-dimethylpyrrol-1-yl)-2-methoxybenzamide is sourced from PubChem (CID 43822440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).