4-bromo-1-methyl-N-(1-methylcyclohexyl)pyrrole-2-carboxamide

C13H19BrN2O — CID 61229345

IUPAC4-bromo-1-methyl-N-(1-methylcyclohexyl)pyrrole-2-carboxamide
SMILESCn1cc(Br)cc1C(=O)NC1(C)CCCCC1
InChIInChI=1S/C13H19BrN2O/c1-13(6-4-3-5-7-13)15-12(17)11-8-10(14)9-16(11)2/h8-9H,3-7H2,1-2H3,(H,15,17)
InChIKeyNODQNIJLMJPDGE-UHFFFAOYSA-N
MW299.21 g/mol
LogP3.24
Rot. Bonds2

About 4-bromo-1-methyl-N-(1-methylcyclohexyl)pyrrole-2-carboxamide

4-bromo-1-methyl-N-(1-methylcyclohexyl)pyrrole-2-carboxamide (PubChem CID 61229345) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 4-bromo-1-methyl-N-(1-methylcyclohexyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-methyl-N-(1-methylcyclohexyl)pyrrole-2-carboxamide
PubChem CID61229345
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name4-bromo-1-methyl-N-(1-methylcyclohexyl)pyrrole-2-carboxamide
SMILESCn1cc(Br)cc1C(=O)NC1(C)CCCCC1
InChIInChI=1S/C13H19BrN2O/c1-13(6-4-3-5-7-13)15-12(17)11-8-10(14)9-16(11)2/h8-9H,3-7H2,1-2H3,(H,15,17)
InChIKeyNODQNIJLMJPDGE-UHFFFAOYSA-N
XLogP3.24
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methyl-N-(1-methylcyclohexyl)pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-methyl-N-(1-methylcyclohexyl)pyrrole-2-carboxamide (CID 61229345) is 4-bromo-1-methyl-N-(1-methylcyclohexyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-methyl-N-(1-methylcyclohexyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-methyl-N-(1-methylcyclohexyl)pyrrole-2-carboxamide is Cn1cc(Br)cc1C(=O)NC1(C)CCCCC1.
What is the InChIKey of 4-bromo-1-methyl-N-(1-methylcyclohexyl)pyrrole-2-carboxamide?
The InChIKey is NODQNIJLMJPDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-13(6-4-3-5-7-13)15-12(17)11-8-10(14)9-16(11)2/h8-9H,3-7H2,1-2H3,(H,15,17).
What are the key properties of 4-bromo-1-methyl-N-(1-methylcyclohexyl)pyrrole-2-carboxamide?
4-bromo-1-methyl-N-(1-methylcyclohexyl)pyrrole-2-carboxamide has a molecular weight of 299.21 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methyl-N-(1-methylcyclohexyl)pyrrole-2-carboxamide is sourced from PubChem (CID 61229345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).