N-(5-bromo-2-chlorophenyl)-1-methylpyrrole-2-carboxamide

C12H10BrClN2O — CID 55131675

IUPACN-(5-bromo-2-chlorophenyl)-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)Nc1cc(Br)ccc1Cl
InChIInChI=1S/C12H10BrClN2O/c1-16-6-2-3-11(16)12(17)15-10-7-8(13)4-5-9(10)14/h2-7H,1H3,(H,15,17)
InChIKeyNKRZEZAAQJULRI-UHFFFAOYSA-N
MW313.58 g/mol
LogP3.69
Rot. Bonds2

About N-(5-bromo-2-chlorophenyl)-1-methylpyrrole-2-carboxamide

N-(5-bromo-2-chlorophenyl)-1-methylpyrrole-2-carboxamide (PubChem CID 55131675) has the molecular formula C12H10BrClN2O and a molecular weight of 313.58 g/mol. Its IUPAC name is N-(5-bromo-2-chlorophenyl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-chlorophenyl)-1-methylpyrrole-2-carboxamide
PubChem CID55131675
Molecular FormulaC12H10BrClN2O
Molecular Weight313.58 g/mol
Exact Mass311.97
IUPAC NameN-(5-bromo-2-chlorophenyl)-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)Nc1cc(Br)ccc1Cl
InChIInChI=1S/C12H10BrClN2O/c1-16-6-2-3-11(16)12(17)15-10-7-8(13)4-5-9(10)14/h2-7H,1H3,(H,15,17)
InChIKeyNKRZEZAAQJULRI-UHFFFAOYSA-N
XLogP3.69
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.58
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 62908256
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N-(5-bromo-2-chlorophenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide
CID 114609241
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4-bromo-N-(5-bromo-2-chlorophenyl)-2-methoxybenzamide
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N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-1-methylpyrrole-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-chlorophenyl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-(5-bromo-2-chlorophenyl)-1-methylpyrrole-2-carboxamide (CID 55131675) is N-(5-bromo-2-chlorophenyl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-(5-bromo-2-chlorophenyl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-(5-bromo-2-chlorophenyl)-1-methylpyrrole-2-carboxamide is Cn1cccc1C(=O)Nc1cc(Br)ccc1Cl.
What is the InChIKey of N-(5-bromo-2-chlorophenyl)-1-methylpyrrole-2-carboxamide?
The InChIKey is NKRZEZAAQJULRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN2O/c1-16-6-2-3-11(16)12(17)15-10-7-8(13)4-5-9(10)14/h2-7H,1H3,(H,15,17).
What are the key properties of N-(5-bromo-2-chlorophenyl)-1-methylpyrrole-2-carboxamide?
N-(5-bromo-2-chlorophenyl)-1-methylpyrrole-2-carboxamide has a molecular weight of 313.58 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-chlorophenyl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 55131675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).