4-bromo-N-(2-methoxy-5-methylphenyl)-1-methylpyrrole-2-carboxamide

C14H15BrN2O2 — CID 17410270

IUPAC4-bromo-N-(2-methoxy-5-methylphenyl)-1-methylpyrrole-2-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cc(Br)cn1C
InChIInChI=1S/C14H15BrN2O2/c1-9-4-5-13(19-3)11(6-9)16-14(18)12-7-10(15)8-17(12)2/h4-8H,1-3H3,(H,16,18)
InChIKeyXNJFFCIKSNQJEJ-UHFFFAOYSA-N
MW323.19 g/mol
LogP3.36
Rot. Bonds3

About 4-bromo-N-(2-methoxy-5-methylphenyl)-1-methylpyrrole-2-carboxamide

4-bromo-N-(2-methoxy-5-methylphenyl)-1-methylpyrrole-2-carboxamide (PubChem CID 17410270) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is 4-bromo-N-(2-methoxy-5-methylphenyl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(2-methoxy-5-methylphenyl)-1-methylpyrrole-2-carboxamide
PubChem CID17410270
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC Name4-bromo-N-(2-methoxy-5-methylphenyl)-1-methylpyrrole-2-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cc(Br)cn1C
InChIInChI=1S/C14H15BrN2O2/c1-9-4-5-13(19-3)11(6-9)16-14(18)12-7-10(15)8-17(12)2/h4-8H,1-3H3,(H,16,18)
InChIKeyXNJFFCIKSNQJEJ-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(5-chloro-2-methoxyphenyl)-1-methylpyrrole-2-carboxamide
CID 43411016
4-bromo-N'-[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]-1-methylpyrrole-2-carbohydrazide
CID 27037298
2,4-dibromo-N-(2-methoxy-5-methylphenyl)benzamide
CID 103882118
N-(2-methoxy-5-methylphenyl)-2,4,6-trimethylbenzamide
CID 19174112
4-bromo-N-(4-chloro-3-methoxyphenyl)-1-methylpyrrole-2-carboxamide
CID 107300892
4-bromo-N-(4-methoxyphenyl)-1-methylpyrrole-2-carboxamide
CID 43410991
5-bromo-2-chloro-N-(2-methoxy-5-methylphenyl)benzamide
CID 2529315
N-(2-methoxy-5-methylphenyl)-1-methylindole-3-carboxamide
CID 9208634
4-amino-N-(2-methoxy-5-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43642946
2-bromo-N-(5-bromo-2-methoxyphenyl)-5-methylbenzamide
CID 80974126
4-bromo-N-(6-bromo-2-methyl-3-pyridinyl)-1-methylpyrrole-2-carboxamide
CID 113349883
4-N,5-N-bis(2-methoxy-5-methylphenyl)-1-methylpyrazole-4,5-dicarboxamide
CID 29096938

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-methoxy-5-methylphenyl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(2-methoxy-5-methylphenyl)-1-methylpyrrole-2-carboxamide (CID 17410270) is 4-bromo-N-(2-methoxy-5-methylphenyl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(2-methoxy-5-methylphenyl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(2-methoxy-5-methylphenyl)-1-methylpyrrole-2-carboxamide is COc1ccc(C)cc1NC(=O)c1cc(Br)cn1C.
What is the InChIKey of 4-bromo-N-(2-methoxy-5-methylphenyl)-1-methylpyrrole-2-carboxamide?
The InChIKey is XNJFFCIKSNQJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c1-9-4-5-13(19-3)11(6-9)16-14(18)12-7-10(15)8-17(12)2/h4-8H,1-3H3,(H,16,18).
What are the key properties of 4-bromo-N-(2-methoxy-5-methylphenyl)-1-methylpyrrole-2-carboxamide?
4-bromo-N-(2-methoxy-5-methylphenyl)-1-methylpyrrole-2-carboxamide has a molecular weight of 323.19 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-methoxy-5-methylphenyl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 17410270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).