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

C16H23BrN2O — CID 60955272

IUPAC4-bromo-1-cyclopropyl-N-methyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide
SMILESCC1CCC(N(C)C(=O)c2cc(Br)cn2C2CC2)CC1
InChIInChI=1S/C16H23BrN2O/c1-11-3-5-13(6-4-11)18(2)16(20)15-9-12(17)10-19(15)14-7-8-14/h9-11,13-14H,3-8H2,1-2H3
InChIKeyOSRNPOGEHNLRLW-UHFFFAOYSA-N
MW339.28 g/mol
LogP4.24
Rot. Bonds3

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

4-bromo-1-cyclopropyl-N-methyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide (PubChem CID 60955272) has the molecular formula C16H23BrN2O and a molecular weight of 339.28 g/mol. Its IUPAC name is 4-bromo-1-cyclopropyl-N-methyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-cyclopropyl-N-methyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide
PubChem CID60955272
Molecular FormulaC16H23BrN2O
Molecular Weight339.28 g/mol
Exact Mass338.10
IUPAC Name4-bromo-1-cyclopropyl-N-methyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide
SMILESCC1CCC(N(C)C(=O)c2cc(Br)cn2C2CC2)CC1
InChIInChI=1S/C16H23BrN2O/c1-11-3-5-13(6-4-11)18(2)16(20)15-9-12(17)10-19(15)14-7-8-14/h9-11,13-14H,3-8H2,1-2H3
InChIKeyOSRNPOGEHNLRLW-UHFFFAOYSA-N
XLogP4.24
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-bromo-1-cyclopropyl-N-methyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-cyclopropyl-N-methyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-cyclopropyl-N-methyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide (CID 60955272) is 4-bromo-1-cyclopropyl-N-methyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-cyclopropyl-N-methyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-cyclopropyl-N-methyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide is CC1CCC(N(C)C(=O)c2cc(Br)cn2C2CC2)CC1.
What is the InChIKey of 4-bromo-1-cyclopropyl-N-methyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide?
The InChIKey is OSRNPOGEHNLRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O/c1-11-3-5-13(6-4-11)18(2)16(20)15-9-12(17)10-19(15)14-7-8-14/h9-11,13-14H,3-8H2,1-2H3.
What are the key properties of 4-bromo-1-cyclopropyl-N-methyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide?
4-bromo-1-cyclopropyl-N-methyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide has a molecular weight of 339.28 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-cyclopropyl-N-methyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide is sourced from PubChem (CID 60955272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).