4-bromo-N-(4-bromo-2-methoxy-6-methylphenyl)-1-methylpyrrole-2-carboxamide

C14H14Br2N2O2 — CID 60934499

IUPAC4-bromo-N-(4-bromo-2-methoxy-6-methylphenyl)-1-methylpyrrole-2-carboxamide
SMILESCOc1cc(Br)cc(C)c1NC(=O)c1cc(Br)cn1C
InChIInChI=1S/C14H14Br2N2O2/c1-8-4-9(15)6-12(20-3)13(8)17-14(19)11-5-10(16)7-18(11)2/h4-7H,1-3H3,(H,17,19)
InChIKeyFXPQLEGNVXJPCB-UHFFFAOYSA-N
MW402.09 g/mol
LogP4.12
Rot. Bonds3

About 4-bromo-N-(4-bromo-2-methoxy-6-methylphenyl)-1-methylpyrrole-2-carboxamide

4-bromo-N-(4-bromo-2-methoxy-6-methylphenyl)-1-methylpyrrole-2-carboxamide (PubChem CID 60934499) has the molecular formula C14H14Br2N2O2 and a molecular weight of 402.09 g/mol. Its IUPAC name is 4-bromo-N-(4-bromo-2-methoxy-6-methylphenyl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(4-bromo-2-methoxy-6-methylphenyl)-1-methylpyrrole-2-carboxamide
PubChem CID60934499
Molecular FormulaC14H14Br2N2O2
Molecular Weight402.09 g/mol
Exact Mass399.94
IUPAC Name4-bromo-N-(4-bromo-2-methoxy-6-methylphenyl)-1-methylpyrrole-2-carboxamide
SMILESCOc1cc(Br)cc(C)c1NC(=O)c1cc(Br)cn1C
InChIInChI=1S/C14H14Br2N2O2/c1-8-4-9(15)6-12(20-3)13(8)17-14(19)11-5-10(16)7-18(11)2/h4-7H,1-3H3,(H,17,19)
InChIKeyFXPQLEGNVXJPCB-UHFFFAOYSA-N
XLogP4.12
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.09
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(2-methoxy-5-methylphenyl)-1-methylpyrrole-2-carboxamide
CID 17410270
4,5-dibromo-N-(4-bromo-2-methoxy-6-methylphenyl)thiophene-2-carboxamide
CID 80536467
4-bromo-N-(2,6-dichloro-4-methyl-3-pyridinyl)-1-methylpyrrole-2-carboxamide
CID 114051091
4-bromo-N-(3,4-dimethylphenyl)-1-methylpyrrole-2-carboxamide
CID 43410978
4-bromo-N-(5-chloro-2-methoxyphenyl)-1-methylpyrrole-2-carboxamide
CID 43411016
4-bromo-N-(4-chloro-3-methoxyphenyl)-1-methylpyrrole-2-carboxamide
CID 107300892
4-bromo-1-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrrole-2-carboxamide
CID 60698314
4-bromo-N-(4-methoxyphenyl)-1-methylpyrrole-2-carboxamide
CID 43410991
5-bromo-N-(4-bromo-2-methoxy-6-methylphenyl)pyridine-2-carboxamide
CID 62954905
N-(4-bromo-2-methoxy-6-methylphenyl)-1H-pyrazole-5-carboxamide
CID 167908208
N-(4-bromo-2-methoxy-6-methylphenyl)-3,6-dichloropyridine-2-carboxamide
CID 60811575
4-bromo-N-(2,6-difluorophenyl)-1-methylpyrrole-2-carboxamide
CID 43411067

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-bromo-2-methoxy-6-methylphenyl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(4-bromo-2-methoxy-6-methylphenyl)-1-methylpyrrole-2-carboxamide (CID 60934499) is 4-bromo-N-(4-bromo-2-methoxy-6-methylphenyl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(4-bromo-2-methoxy-6-methylphenyl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(4-bromo-2-methoxy-6-methylphenyl)-1-methylpyrrole-2-carboxamide is COc1cc(Br)cc(C)c1NC(=O)c1cc(Br)cn1C.
What is the InChIKey of 4-bromo-N-(4-bromo-2-methoxy-6-methylphenyl)-1-methylpyrrole-2-carboxamide?
The InChIKey is FXPQLEGNVXJPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2N2O2/c1-8-4-9(15)6-12(20-3)13(8)17-14(19)11-5-10(16)7-18(11)2/h4-7H,1-3H3,(H,17,19).
What are the key properties of 4-bromo-N-(4-bromo-2-methoxy-6-methylphenyl)-1-methylpyrrole-2-carboxamide?
4-bromo-N-(4-bromo-2-methoxy-6-methylphenyl)-1-methylpyrrole-2-carboxamide has a molecular weight of 402.09 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-bromo-2-methoxy-6-methylphenyl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 60934499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).