4-bromo-N-(1-cyclohexylethyl)-1-cyclopropylpyrrole-2-carboxamide

C16H23BrN2O — CID 63524255

IUPAC4-bromo-N-(1-cyclohexylethyl)-1-cyclopropylpyrrole-2-carboxamide
SMILESCC(NC(=O)c1cc(Br)cn1C1CC1)C1CCCCC1
InChIInChI=1S/C16H23BrN2O/c1-11(12-5-3-2-4-6-12)18-16(20)15-9-13(17)10-19(15)14-7-8-14/h9-12,14H,2-8H2,1H3,(H,18,20)
InChIKeySPQPDSZACACZPC-UHFFFAOYSA-N
MW339.28 g/mol
LogP4.28
Rot. Bonds4

About 4-bromo-N-(1-cyclohexylethyl)-1-cyclopropylpyrrole-2-carboxamide

4-bromo-N-(1-cyclohexylethyl)-1-cyclopropylpyrrole-2-carboxamide (PubChem CID 63524255) has the molecular formula C16H23BrN2O and a molecular weight of 339.28 g/mol. Its IUPAC name is 4-bromo-N-(1-cyclohexylethyl)-1-cyclopropylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(1-cyclohexylethyl)-1-cyclopropylpyrrole-2-carboxamide
PubChem CID63524255
Molecular FormulaC16H23BrN2O
Molecular Weight339.28 g/mol
Exact Mass338.10
IUPAC Name4-bromo-N-(1-cyclohexylethyl)-1-cyclopropylpyrrole-2-carboxamide
SMILESCC(NC(=O)c1cc(Br)cn1C1CC1)C1CCCCC1
InChIInChI=1S/C16H23BrN2O/c1-11(12-5-3-2-4-6-12)18-16(20)15-9-13(17)10-19(15)14-7-8-14/h9-12,14H,2-8H2,1H3,(H,18,20)
InChIKeySPQPDSZACACZPC-UHFFFAOYSA-N
XLogP4.28
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-1-cyclohexylethyl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide
CID 115309213
2-[(4-bromo-1-cyclopropylpyrrole-2-carbonyl)amino]propanoic acid
CID 43640386
4-bromo-N-cycloheptyl-1-cyclopropylpyrrole-2-carboxamide
CID 43641450
N-(1-amino-1-oxopropan-2-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide
CID 43641687
3-[(4-bromo-1-cyclopropylpyrrole-2-carbonyl)amino]butanoic acid
CID 43640405
N-[1-(4-aminophenyl)ethyl]-4-bromo-1-cyclopropylpyrrole-2-carboxamide
CID 116650049
4-bromo-1-cyclopropyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrole-2-carboxamide
CID 60954815
4-bromo-1-cyclopropyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]pyrrole-2-carboxamide
CID 103110528
4-bromo-1-cyclopropyl-N-(3,5-dimethylphenyl)pyrrole-2-carboxamide
CID 43641085
4-bromo-1-cyclopropyl-N-[1-(2-fluorophenyl)ethyl]pyrrole-2-carboxamide
CID 60933403
4-bromo-1-cyclopropyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide
CID 43640968
N-(azetidin-3-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide
CID 66187704

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1-cyclohexylethyl)-1-cyclopropylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(1-cyclohexylethyl)-1-cyclopropylpyrrole-2-carboxamide (CID 63524255) is 4-bromo-N-(1-cyclohexylethyl)-1-cyclopropylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(1-cyclohexylethyl)-1-cyclopropylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(1-cyclohexylethyl)-1-cyclopropylpyrrole-2-carboxamide is CC(NC(=O)c1cc(Br)cn1C1CC1)C1CCCCC1.
What is the InChIKey of 4-bromo-N-(1-cyclohexylethyl)-1-cyclopropylpyrrole-2-carboxamide?
The InChIKey is SPQPDSZACACZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O/c1-11(12-5-3-2-4-6-12)18-16(20)15-9-13(17)10-19(15)14-7-8-14/h9-12,14H,2-8H2,1H3,(H,18,20).
What are the key properties of 4-bromo-N-(1-cyclohexylethyl)-1-cyclopropylpyrrole-2-carboxamide?
4-bromo-N-(1-cyclohexylethyl)-1-cyclopropylpyrrole-2-carboxamide has a molecular weight of 339.28 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1-cyclohexylethyl)-1-cyclopropylpyrrole-2-carboxamide is sourced from PubChem (CID 63524255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).