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

C14H15BrN2O — CID 81110326

IUPAC2-bromo-N-(2,5-dimethylpyrrol-1-yl)-5-methylbenzamide
SMILESCc1ccc(Br)c(C(=O)Nn2c(C)ccc2C)c1
InChIInChI=1S/C14H15BrN2O/c1-9-4-7-13(15)12(8-9)14(18)16-17-10(2)5-6-11(17)3/h4-8H,1-3H3,(H,16,18)
InChIKeyMRHSBJNQUZHEES-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.56
Rot. Bonds2

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

2-bromo-N-(2,5-dimethylpyrrol-1-yl)-5-methylbenzamide (PubChem CID 81110326) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is 2-bromo-N-(2,5-dimethylpyrrol-1-yl)-5-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(2,5-dimethylpyrrol-1-yl)-5-methylbenzamide
PubChem CID81110326
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name2-bromo-N-(2,5-dimethylpyrrol-1-yl)-5-methylbenzamide
SMILESCc1ccc(Br)c(C(=O)Nn2c(C)ccc2C)c1
InChIInChI=1S/C14H15BrN2O/c1-9-4-7-13(15)12(8-9)14(18)16-17-10(2)5-6-11(17)3/h4-8H,1-3H3,(H,16,18)
InChIKeyMRHSBJNQUZHEES-UHFFFAOYSA-N
XLogP3.56
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-2-bromo-N-(2,5-dimethylpyrrol-1-yl)benzamide
CID 115297412
5-bromo-N-(2,5-dimethylpyrrol-1-yl)-2-methoxybenzamide
CID 43822440
2-bromo-N-(6-hydroxyhexyl)-5-methylbenzamide
CID 103918853
methyl 2-bromo-5-methylbenzoate
CID 15110996
N-[(2S)-1-amino-1-oxopropan-2-yl]-2-bromo-5-methylbenzamide
CID 171385167
N-(1-amino-1-oxopropan-2-yl)-2-bromo-5-methylbenzamide
CID 80980301
2-bromo-5-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 80979004
2-bromo-5-methylbenzoic acid;ethane
CID 142935649
2-bromo-N-(2,3-dihydro-1H-inden-2-yl)-5-methylbenzamide
CID 104693584
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-2-bromo-5-methylbenzamide
CID 81111796
2-bromo-N-(2,5-dimethylpyrazol-3-yl)-5-methylbenzamide
CID 80974367
2-bromo-N-[1-(2-bromophenyl)ethyl]-5-methylbenzamide
CID 81110213

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2,5-dimethylpyrrol-1-yl)-5-methylbenzamide?
The IUPAC name of 2-bromo-N-(2,5-dimethylpyrrol-1-yl)-5-methylbenzamide (CID 81110326) is 2-bromo-N-(2,5-dimethylpyrrol-1-yl)-5-methylbenzamide.
What is the SMILES notation for 2-bromo-N-(2,5-dimethylpyrrol-1-yl)-5-methylbenzamide?
The canonical SMILES for 2-bromo-N-(2,5-dimethylpyrrol-1-yl)-5-methylbenzamide is Cc1ccc(Br)c(C(=O)Nn2c(C)ccc2C)c1.
What is the InChIKey of 2-bromo-N-(2,5-dimethylpyrrol-1-yl)-5-methylbenzamide?
The InChIKey is MRHSBJNQUZHEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-9-4-7-13(15)12(8-9)14(18)16-17-10(2)5-6-11(17)3/h4-8H,1-3H3,(H,16,18).
What are the key properties of 2-bromo-N-(2,5-dimethylpyrrol-1-yl)-5-methylbenzamide?
2-bromo-N-(2,5-dimethylpyrrol-1-yl)-5-methylbenzamide has a molecular weight of 307.19 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2,5-dimethylpyrrol-1-yl)-5-methylbenzamide is sourced from PubChem (CID 81110326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).