4-bromo-1-propan-2-yl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrole-2-carboxamide

C16H26BrN3O — CID 61208730

IUPAC4-bromo-1-propan-2-yl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrole-2-carboxamide
SMILESCC(C)N1CCC(CNC(=O)c2cc(Br)cn2C(C)C)C1
InChIInChI=1S/C16H26BrN3O/c1-11(2)19-6-5-13(9-19)8-18-16(21)15-7-14(17)10-20(15)12(3)4/h7,10-13H,5-6,8-9H2,1-4H3,(H,18,21)
InChIKeyQGJCQVWGFAFEIZ-UHFFFAOYSA-N
MW356.31 g/mol
LogP3.29
Rot. Bonds5

About 4-bromo-1-propan-2-yl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrole-2-carboxamide

4-bromo-1-propan-2-yl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrole-2-carboxamide (PubChem CID 61208730) has the molecular formula C16H26BrN3O and a molecular weight of 356.31 g/mol. Its IUPAC name is 4-bromo-1-propan-2-yl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-propan-2-yl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrole-2-carboxamide
PubChem CID61208730
Molecular FormulaC16H26BrN3O
Molecular Weight356.31 g/mol
Exact Mass355.13
IUPAC Name4-bromo-1-propan-2-yl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrole-2-carboxamide
SMILESCC(C)N1CCC(CNC(=O)c2cc(Br)cn2C(C)C)C1
InChIInChI=1S/C16H26BrN3O/c1-11(2)19-6-5-13(9-19)8-18-16(21)15-7-14(17)10-20(15)12(3)4/h7,10-13H,5-6,8-9H2,1-4H3,(H,18,21)
InChIKeyQGJCQVWGFAFEIZ-UHFFFAOYSA-N
XLogP3.29
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.31
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[(4-ethylcyclohexyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 63525824
2,5-dibromo-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 114371851
4-bromo-3-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 115770297
4-amino-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1-propylpyrrole-2-carboxamide
CID 61208494
6-chloro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridazine-3-carboxamide
CID 61216005
4-bromo-N-(1,4-dithian-2-ylmethyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 115687010
4-bromo-N-[2-(cyclopropylmethoxy)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 113244818
3,4,5-triethoxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 60598287
5-(methylamino)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazine-2-carboxamide
CID 107374811
4-bromo-N-(4-methylpentyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 54913924
N-(3-aminobutyl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide
CID 63253541
2-hydroxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 51094816

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-propan-2-yl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-propan-2-yl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrole-2-carboxamide (CID 61208730) is 4-bromo-1-propan-2-yl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-propan-2-yl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-propan-2-yl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrole-2-carboxamide is CC(C)N1CCC(CNC(=O)c2cc(Br)cn2C(C)C)C1.
What is the InChIKey of 4-bromo-1-propan-2-yl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrole-2-carboxamide?
The InChIKey is QGJCQVWGFAFEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrN3O/c1-11(2)19-6-5-13(9-19)8-18-16(21)15-7-14(17)10-20(15)12(3)4/h7,10-13H,5-6,8-9H2,1-4H3,(H,18,21).
What are the key properties of 4-bromo-1-propan-2-yl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrole-2-carboxamide?
4-bromo-1-propan-2-yl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrole-2-carboxamide has a molecular weight of 356.31 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-propan-2-yl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 61208730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).