4-bromo-1-cyclopropyl-N-(3,5-dimethylcyclohexyl)pyrrole-2-carboxamide

C16H23BrN2O — CID 64734090

IUPAC4-bromo-1-cyclopropyl-N-(3,5-dimethylcyclohexyl)pyrrole-2-carboxamide
SMILESCC1CC(C)CC(NC(=O)c2cc(Br)cn2C2CC2)C1
InChIInChI=1S/C16H23BrN2O/c1-10-5-11(2)7-13(6-10)18-16(20)15-8-12(17)9-19(15)14-3-4-14/h8-11,13-14H,3-7H2,1-2H3,(H,18,20)
InChIKeyPPFMZKXVGUVRTG-UHFFFAOYSA-N
MW339.28 g/mol
LogP4.14
Rot. Bonds3

About 4-bromo-1-cyclopropyl-N-(3,5-dimethylcyclohexyl)pyrrole-2-carboxamide

4-bromo-1-cyclopropyl-N-(3,5-dimethylcyclohexyl)pyrrole-2-carboxamide (PubChem CID 64734090) has the molecular formula C16H23BrN2O and a molecular weight of 339.28 g/mol. Its IUPAC name is 4-bromo-1-cyclopropyl-N-(3,5-dimethylcyclohexyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-cyclopropyl-N-(3,5-dimethylcyclohexyl)pyrrole-2-carboxamide
PubChem CID64734090
Molecular FormulaC16H23BrN2O
Molecular Weight339.28 g/mol
Exact Mass338.10
IUPAC Name4-bromo-1-cyclopropyl-N-(3,5-dimethylcyclohexyl)pyrrole-2-carboxamide
SMILESCC1CC(C)CC(NC(=O)c2cc(Br)cn2C2CC2)C1
InChIInChI=1S/C16H23BrN2O/c1-10-5-11(2)7-13(6-10)18-16(20)15-8-12(17)9-19(15)14-3-4-14/h8-11,13-14H,3-7H2,1-2H3,(H,18,20)
InChIKeyPPFMZKXVGUVRTG-UHFFFAOYSA-N
XLogP4.14
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-bromo-1-cyclopropyl-N-(3,5-dimethylcyclohexyl)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-(3,5-dimethylcyclohexyl)pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-cyclopropyl-N-(3,5-dimethylcyclohexyl)pyrrole-2-carboxamide (CID 64734090) is 4-bromo-1-cyclopropyl-N-(3,5-dimethylcyclohexyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-cyclopropyl-N-(3,5-dimethylcyclohexyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-cyclopropyl-N-(3,5-dimethylcyclohexyl)pyrrole-2-carboxamide is CC1CC(C)CC(NC(=O)c2cc(Br)cn2C2CC2)C1.
What is the InChIKey of 4-bromo-1-cyclopropyl-N-(3,5-dimethylcyclohexyl)pyrrole-2-carboxamide?
The InChIKey is PPFMZKXVGUVRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O/c1-10-5-11(2)7-13(6-10)18-16(20)15-8-12(17)9-19(15)14-3-4-14/h8-11,13-14H,3-7H2,1-2H3,(H,18,20).
What are the key properties of 4-bromo-1-cyclopropyl-N-(3,5-dimethylcyclohexyl)pyrrole-2-carboxamide?
4-bromo-1-cyclopropyl-N-(3,5-dimethylcyclohexyl)pyrrole-2-carboxamide has a molecular weight of 339.28 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-cyclopropyl-N-(3,5-dimethylcyclohexyl)pyrrole-2-carboxamide is sourced from PubChem (CID 64734090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).