4-bromo-N-(oxolan-3-ylmethyl)-1-propylpyrrole-2-carboxamide

C13H19BrN2O2 — CID 54932144

IUPAC4-bromo-N-(oxolan-3-ylmethyl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Br)cc1C(=O)NCC1CCOC1
InChIInChI=1S/C13H19BrN2O2/c1-2-4-16-8-11(14)6-12(16)13(17)15-7-10-3-5-18-9-10/h6,8,10H,2-5,7,9H2,1H3,(H,15,17)
InChIKeyCFJXQXQOGRJVOV-UHFFFAOYSA-N
MW315.21 g/mol
LogP2.43
Rot. Bonds5

About 4-bromo-N-(oxolan-3-ylmethyl)-1-propylpyrrole-2-carboxamide

4-bromo-N-(oxolan-3-ylmethyl)-1-propylpyrrole-2-carboxamide (PubChem CID 54932144) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is 4-bromo-N-(oxolan-3-ylmethyl)-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(oxolan-3-ylmethyl)-1-propylpyrrole-2-carboxamide
PubChem CID54932144
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC Name4-bromo-N-(oxolan-3-ylmethyl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Br)cc1C(=O)NCC1CCOC1
InChIInChI=1S/C13H19BrN2O2/c1-2-4-16-8-11(14)6-12(16)13(17)15-7-10-3-5-18-9-10/h6,8,10H,2-5,7,9H2,1H3,(H,15,17)
InChIKeyCFJXQXQOGRJVOV-UHFFFAOYSA-N
XLogP2.43
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(oxan-4-ylmethyl)-1-propylpyrrole-2-carboxamide
CID 55226070
4-bromo-N-(cyclopropylmethyl)-1-propylpyrrole-2-carboxamide
CID 43640684
4-bromo-N-methyl-N-(oxolan-3-yl)-1-propylpyrrole-2-carboxamide
CID 82737719
4-bromo-1-propyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrrole-2-carboxamide
CID 79351058
4-bromo-1-cyclopropyl-N-(oxan-3-ylmethyl)pyrrole-2-carboxamide
CID 54905662
4-bromo-N-[(4-hydroxyoxan-4-yl)methyl]-1-propylpyrrole-2-carboxamide
CID 81130387
4-bromo-N-methyl-N-(oxan-4-yl)-1-propylpyrrole-2-carboxamide
CID 43641814
4-bromo-N-[2-(4-methylpiperidin-1-yl)ethyl]-1-propylpyrrole-2-carboxamide
CID 61242007
4-bromo-1-ethyl-N-[(3-hydroxycyclobutyl)methyl]pyrrole-2-carboxamide
CID 66005799
4-bromo-N-(3-hydroxypropyl)-1-propylpyrrole-2-carboxamide
CID 43639903
3-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]-2-methylpropanoic acid
CID 62675869
4-bromo-N-(2-methylcyclopropyl)-1-propylpyrrole-2-carboxamide
CID 62408221

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(oxolan-3-ylmethyl)-1-propylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(oxolan-3-ylmethyl)-1-propylpyrrole-2-carboxamide (CID 54932144) is 4-bromo-N-(oxolan-3-ylmethyl)-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(oxolan-3-ylmethyl)-1-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(oxolan-3-ylmethyl)-1-propylpyrrole-2-carboxamide is CCCn1cc(Br)cc1C(=O)NCC1CCOC1.
What is the InChIKey of 4-bromo-N-(oxolan-3-ylmethyl)-1-propylpyrrole-2-carboxamide?
The InChIKey is CFJXQXQOGRJVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-2-4-16-8-11(14)6-12(16)13(17)15-7-10-3-5-18-9-10/h6,8,10H,2-5,7,9H2,1H3,(H,15,17).
What are the key properties of 4-bromo-N-(oxolan-3-ylmethyl)-1-propylpyrrole-2-carboxamide?
4-bromo-N-(oxolan-3-ylmethyl)-1-propylpyrrole-2-carboxamide has a molecular weight of 315.21 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(oxolan-3-ylmethyl)-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 54932144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).