4-bromo-N-(1-cyclohexylpropyl)-1-propan-2-ylpyrrole-2-carboxamide

C17H27BrN2O — CID 63524955

IUPAC4-bromo-N-(1-cyclohexylpropyl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCCC(NC(=O)c1cc(Br)cn1C(C)C)C1CCCCC1
InChIInChI=1S/C17H27BrN2O/c1-4-15(13-8-6-5-7-9-13)19-17(21)16-10-14(18)11-20(16)12(2)3/h10-13,15H,4-9H2,1-3H3,(H,19,21)
InChIKeyJYKZXXDLDXTADX-UHFFFAOYSA-N
MW355.32 g/mol
LogP4.92
Rot. Bonds5

About 4-bromo-N-(1-cyclohexylpropyl)-1-propan-2-ylpyrrole-2-carboxamide

4-bromo-N-(1-cyclohexylpropyl)-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 63524955) has the molecular formula C17H27BrN2O and a molecular weight of 355.32 g/mol. Its IUPAC name is 4-bromo-N-(1-cyclohexylpropyl)-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(1-cyclohexylpropyl)-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID63524955
Molecular FormulaC17H27BrN2O
Molecular Weight355.32 g/mol
Exact Mass354.13
IUPAC Name4-bromo-N-(1-cyclohexylpropyl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCCC(NC(=O)c1cc(Br)cn1C(C)C)C1CCCCC1
InChIInChI=1S/C17H27BrN2O/c1-4-15(13-8-6-5-7-9-13)19-17(21)16-10-14(18)11-20(16)12(2)3/h10-13,15H,4-9H2,1-3H3,(H,19,21)
InChIKeyJYKZXXDLDXTADX-UHFFFAOYSA-N
XLogP4.92
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1-cyclohexylpropyl)-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(1-cyclohexylpropyl)-1-propan-2-ylpyrrole-2-carboxamide (CID 63524955) is 4-bromo-N-(1-cyclohexylpropyl)-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(1-cyclohexylpropyl)-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(1-cyclohexylpropyl)-1-propan-2-ylpyrrole-2-carboxamide is CCC(NC(=O)c1cc(Br)cn1C(C)C)C1CCCCC1.
What is the InChIKey of 4-bromo-N-(1-cyclohexylpropyl)-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is JYKZXXDLDXTADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2O/c1-4-15(13-8-6-5-7-9-13)19-17(21)16-10-14(18)11-20(16)12(2)3/h10-13,15H,4-9H2,1-3H3,(H,19,21).
What are the key properties of 4-bromo-N-(1-cyclohexylpropyl)-1-propan-2-ylpyrrole-2-carboxamide?
4-bromo-N-(1-cyclohexylpropyl)-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 355.32 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1-cyclohexylpropyl)-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 63524955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).