4-bromo-N-(4-bromo-3-methoxyphenyl)-1-cyclopropylpyrrole-2-carboxamide

C15H14Br2N2O2 — CID 82858850

IUPAC4-bromo-N-(4-bromo-3-methoxyphenyl)-1-cyclopropylpyrrole-2-carboxamide
SMILESCOc1cc(NC(=O)c2cc(Br)cn2C2CC2)ccc1Br
InChIInChI=1S/C15H14Br2N2O2/c1-21-14-7-10(2-5-12(14)17)18-15(20)13-6-9(16)8-19(13)11-3-4-11/h2,5-8,11H,3-4H2,1H3,(H,18,20)
InChIKeyKNNVGPMXQVMMFS-UHFFFAOYSA-N
MW414.10 g/mol
LogP4.61
Rot. Bonds4

About 4-bromo-N-(4-bromo-3-methoxyphenyl)-1-cyclopropylpyrrole-2-carboxamide

4-bromo-N-(4-bromo-3-methoxyphenyl)-1-cyclopropylpyrrole-2-carboxamide (PubChem CID 82858850) has the molecular formula C15H14Br2N2O2 and a molecular weight of 414.10 g/mol. Its IUPAC name is 4-bromo-N-(4-bromo-3-methoxyphenyl)-1-cyclopropylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(4-bromo-3-methoxyphenyl)-1-cyclopropylpyrrole-2-carboxamide
PubChem CID82858850
Molecular FormulaC15H14Br2N2O2
Molecular Weight414.10 g/mol
Exact Mass411.94
IUPAC Name4-bromo-N-(4-bromo-3-methoxyphenyl)-1-cyclopropylpyrrole-2-carboxamide
SMILESCOc1cc(NC(=O)c2cc(Br)cn2C2CC2)ccc1Br
InChIInChI=1S/C15H14Br2N2O2/c1-21-14-7-10(2-5-12(14)17)18-15(20)13-6-9(16)8-19(13)11-3-4-11/h2,5-8,11H,3-4H2,1H3,(H,18,20)
InChIKeyKNNVGPMXQVMMFS-UHFFFAOYSA-N
XLogP4.61
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.10
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-1-cyclopropyl-N-(6-methoxy-3-pyridinyl)pyrrole-2-carboxamide
CID 43640546
4-bromo-1-cyclopropyl-N-(3,4-dichlorophenyl)pyrrole-2-carboxamide
CID 43640889
4-bromo-N-(3-chloro-4-methylphenyl)-1-cyclopropylpyrrole-2-carboxamide
CID 43640750
4-bromo-1-cyclopropyl-N-(3,5-dimethylphenyl)pyrrole-2-carboxamide
CID 43641085
4-bromo-1-cyclopropyl-N-(2,3-dihydro-1H-inden-5-yl)pyrrole-2-carboxamide
CID 43640893
4-bromo-N-(4-chloro-3-hydroxyphenyl)-1-cyclopropylpyrrole-2-carboxamide
CID 64787688
4-bromo-1-cyclopropyl-N-(4-propylphenyl)pyrrole-2-carboxamide
CID 43641616
N-(1,3-benzodioxol-5-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide
CID 43641280
4-bromo-1-cyclopropyl-N-[4-(2-hydroxyethyl)phenyl]pyrrole-2-carboxamide
CID 61222503
4-bromo-1-cyclopropyl-N-(2,4-dibromophenyl)pyrrole-2-carboxamide
CID 60954928
4-bromo-1-cyclopropyl-N-[(2-methoxyphenyl)methyl]pyrrole-2-carboxamide
CID 43640775
N-(1,3-benzothiazol-6-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide
CID 107805814

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-bromo-3-methoxyphenyl)-1-cyclopropylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(4-bromo-3-methoxyphenyl)-1-cyclopropylpyrrole-2-carboxamide (CID 82858850) is 4-bromo-N-(4-bromo-3-methoxyphenyl)-1-cyclopropylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(4-bromo-3-methoxyphenyl)-1-cyclopropylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(4-bromo-3-methoxyphenyl)-1-cyclopropylpyrrole-2-carboxamide is COc1cc(NC(=O)c2cc(Br)cn2C2CC2)ccc1Br.
What is the InChIKey of 4-bromo-N-(4-bromo-3-methoxyphenyl)-1-cyclopropylpyrrole-2-carboxamide?
The InChIKey is KNNVGPMXQVMMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2N2O2/c1-21-14-7-10(2-5-12(14)17)18-15(20)13-6-9(16)8-19(13)11-3-4-11/h2,5-8,11H,3-4H2,1H3,(H,18,20).
What are the key properties of 4-bromo-N-(4-bromo-3-methoxyphenyl)-1-cyclopropylpyrrole-2-carboxamide?
4-bromo-N-(4-bromo-3-methoxyphenyl)-1-cyclopropylpyrrole-2-carboxamide has a molecular weight of 414.10 g/mol, XLogP of 4.61, 4 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-3-methoxyphenyl)-1-cyclopropylpyrrole-2-carboxamide is sourced from PubChem (CID 82858850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).