4-bromo-N-(4-carbamoylcyclohexyl)-1-propylpyrrole-2-carboxamide

C15H22BrN3O2 — CID 60955169

IUPAC4-bromo-N-(4-carbamoylcyclohexyl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Br)cc1C(=O)NC1CCC(C(N)=O)CC1
InChIInChI=1S/C15H22BrN3O2/c1-2-7-19-9-11(16)8-13(19)15(21)18-12-5-3-10(4-6-12)14(17)20/h8-10,12H,2-7H2,1H3,(H2,17,20)(H,18,21)
InChIKeySQZMDSVOFCXPOA-UHFFFAOYSA-N
MW356.26 g/mol
LogP2.43
Rot. Bonds5

About 4-bromo-N-(4-carbamoylcyclohexyl)-1-propylpyrrole-2-carboxamide

4-bromo-N-(4-carbamoylcyclohexyl)-1-propylpyrrole-2-carboxamide (PubChem CID 60955169) has the molecular formula C15H22BrN3O2 and a molecular weight of 356.26 g/mol. Its IUPAC name is 4-bromo-N-(4-carbamoylcyclohexyl)-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(4-carbamoylcyclohexyl)-1-propylpyrrole-2-carboxamide
PubChem CID60955169
Molecular FormulaC15H22BrN3O2
Molecular Weight356.26 g/mol
Exact Mass355.09
IUPAC Name4-bromo-N-(4-carbamoylcyclohexyl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Br)cc1C(=O)NC1CCC(C(N)=O)CC1
InChIInChI=1S/C15H22BrN3O2/c1-2-7-19-9-11(16)8-13(19)15(21)18-12-5-3-10(4-6-12)14(17)20/h8-10,12H,2-7H2,1H3,(H2,17,20)(H,18,21)
InChIKeySQZMDSVOFCXPOA-UHFFFAOYSA-N
XLogP2.43
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(1-cyclopropylpiperidin-4-yl)-1-propylpyrrole-2-carboxamide
CID 60956002
4-bromo-1-ethyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide
CID 43640965
4-bromo-N-(2-methylcyclopropyl)-1-propylpyrrole-2-carboxamide
CID 62408221
4-bromo-N-(1-ethylpiperidin-3-yl)-1-propylpyrrole-2-carboxamide
CID 61170021
4-bromo-N-cyclobutyl-1-ethylpyrrole-2-carboxamide
CID 55211463
4-amino-N-(4-hydroxycyclohexyl)-1-propylpyrrole-2-carboxamide
CID 43642114
2-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 64814721
ethyl 4-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylate
CID 60932820
4-bromo-N-(cyclopropylmethyl)-1-propylpyrrole-2-carboxamide
CID 43640684
4-bromo-N-(4-ethylcyclohexyl)-1-methylpyrrole-2-carboxamide
CID 61244506
4-bromo-N-piperidin-1-yl-1-propylpyrrole-2-carboxamide
CID 83017011
(2R)-4-amino-2-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]-4-oxobutanoic acid
CID 107821533

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-carbamoylcyclohexyl)-1-propylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(4-carbamoylcyclohexyl)-1-propylpyrrole-2-carboxamide (CID 60955169) is 4-bromo-N-(4-carbamoylcyclohexyl)-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(4-carbamoylcyclohexyl)-1-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(4-carbamoylcyclohexyl)-1-propylpyrrole-2-carboxamide is CCCn1cc(Br)cc1C(=O)NC1CCC(C(N)=O)CC1.
What is the InChIKey of 4-bromo-N-(4-carbamoylcyclohexyl)-1-propylpyrrole-2-carboxamide?
The InChIKey is SQZMDSVOFCXPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O2/c1-2-7-19-9-11(16)8-13(19)15(21)18-12-5-3-10(4-6-12)14(17)20/h8-10,12H,2-7H2,1H3,(H2,17,20)(H,18,21).
What are the key properties of 4-bromo-N-(4-carbamoylcyclohexyl)-1-propylpyrrole-2-carboxamide?
4-bromo-N-(4-carbamoylcyclohexyl)-1-propylpyrrole-2-carboxamide has a molecular weight of 356.26 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-carbamoylcyclohexyl)-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 60955169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).