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

C15H21BrN2O — CID 43640968

IUPAC4-bromo-1-cyclopropyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide
SMILESCC1CCC(NC(=O)c2cc(Br)cn2C2CC2)CC1
InChIInChI=1S/C15H21BrN2O/c1-10-2-4-12(5-3-10)17-15(19)14-8-11(16)9-18(14)13-6-7-13/h8-10,12-13H,2-7H2,1H3,(H,17,19)
InChIKeyXWLCOFYFONKTHC-UHFFFAOYSA-N
MW325.25 g/mol
LogP3.89
Rot. Bonds3

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

4-bromo-1-cyclopropyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide (PubChem CID 43640968) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is 4-bromo-1-cyclopropyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-cyclopropyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide
PubChem CID43640968
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name4-bromo-1-cyclopropyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide
SMILESCC1CCC(NC(=O)c2cc(Br)cn2C2CC2)CC1
InChIInChI=1S/C15H21BrN2O/c1-10-2-4-12(5-3-10)17-15(19)14-8-11(16)9-18(14)13-6-7-13/h8-10,12-13H,2-7H2,1H3,(H,17,19)
InChIKeyXWLCOFYFONKTHC-UHFFFAOYSA-N
XLogP3.89
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-1-cyclopropyl-N-(3,5-dimethylcyclohexyl)pyrrole-2-carboxamide
CID 64734090
4-bromo-N-cycloheptyl-1-cyclopropylpyrrole-2-carboxamide
CID 43641450
N-(azetidin-3-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide
CID 66187704
4-bromo-1-cyclopropyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrole-2-carboxamide
CID 60954815
4-bromo-1-ethyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide
CID 43640965
4-bromo-1-cyclopropyl-N-(3-ethylcyclohexyl)pyrrole-2-carboxamide
CID 64747843
N-(2-aminocyclopropyl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide
CID 43640446
4-bromo-1-cyclopropyl-N-[2-(propylamino)ethyl]pyrrole-2-carboxamide
CID 62659546
4-bromo-1-cyclopropyl-N-(2-methoxyethyl)pyrrole-2-carboxamide
CID 43640614
4-bromo-1-cyclopropyl-N-methyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide
CID 60955272
4-bromo-1-cyclopropyl-N-(3,5-dimethylphenyl)pyrrole-2-carboxamide
CID 43641085
N-(1-amino-2-methylpropan-2-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide
CID 63193983

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-cyclopropyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-cyclopropyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide (CID 43640968) is 4-bromo-1-cyclopropyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-cyclopropyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-cyclopropyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide is CC1CCC(NC(=O)c2cc(Br)cn2C2CC2)CC1.
What is the InChIKey of 4-bromo-1-cyclopropyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide?
The InChIKey is XWLCOFYFONKTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-10-2-4-12(5-3-10)17-15(19)14-8-11(16)9-18(14)13-6-7-13/h8-10,12-13H,2-7H2,1H3,(H,17,19).
What are the key properties of 4-bromo-1-cyclopropyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide?
4-bromo-1-cyclopropyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide has a molecular weight of 325.25 g/mol, XLogP of 3.89, 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-(4-methylcyclohexyl)pyrrole-2-carboxamide is sourced from PubChem (CID 43640968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).