4-bromo-N-(oxan-4-ylmethyl)-1-propylpyrrole-2-carboxamide

C14H21BrN2O2 — CID 55226070

IUPAC4-bromo-N-(oxan-4-ylmethyl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Br)cc1C(=O)NCC1CCOCC1
InChIInChI=1S/C14H21BrN2O2/c1-2-5-17-10-12(15)8-13(17)14(18)16-9-11-3-6-19-7-4-11/h8,10-11H,2-7,9H2,1H3,(H,16,18)
InChIKeyLHKKOJZXGTYRKS-UHFFFAOYSA-N
MW329.24 g/mol
LogP2.82
Rot. Bonds5

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

4-bromo-N-(oxan-4-ylmethyl)-1-propylpyrrole-2-carboxamide (PubChem CID 55226070) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is 4-bromo-N-(oxan-4-ylmethyl)-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(oxan-4-ylmethyl)-1-propylpyrrole-2-carboxamide
PubChem CID55226070
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC Name4-bromo-N-(oxan-4-ylmethyl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Br)cc1C(=O)NCC1CCOCC1
InChIInChI=1S/C14H21BrN2O2/c1-2-5-17-10-12(15)8-13(17)14(18)16-9-11-3-6-19-7-4-11/h8,10-11H,2-7,9H2,1H3,(H,16,18)
InChIKeyLHKKOJZXGTYRKS-UHFFFAOYSA-N
XLogP2.82
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-bromo-N-(oxan-4-ylmethyl)-1-propylpyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-(oxolan-3-ylmethyl)-1-propylpyrrole-2-carboxamide
CID 54932144
4-bromo-N-(cyclopropylmethyl)-1-propylpyrrole-2-carboxamide
CID 43640684
4-bromo-1-propyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrrole-2-carboxamide
CID 79351058
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-(3-morpholin-4-ylpropyl)-1-propylpyrrole-2-carboxamide
CID 43641464
4-amino-N-[(4-methylcyclohexyl)methyl]-1-propylpyrrole-2-carboxamide
CID 63243289
4-amino-N-[(4-ethylcyclohexyl)methyl]-1-propylpyrrole-2-carboxamide
CID 61117906
4-bromo-N-methyl-N-(oxolan-3-yl)-1-propylpyrrole-2-carboxamide
CID 82737719
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

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(oxan-4-ylmethyl)-1-propylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(oxan-4-ylmethyl)-1-propylpyrrole-2-carboxamide (CID 55226070) is 4-bromo-N-(oxan-4-ylmethyl)-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(oxan-4-ylmethyl)-1-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(oxan-4-ylmethyl)-1-propylpyrrole-2-carboxamide is CCCn1cc(Br)cc1C(=O)NCC1CCOCC1.
What is the InChIKey of 4-bromo-N-(oxan-4-ylmethyl)-1-propylpyrrole-2-carboxamide?
The InChIKey is LHKKOJZXGTYRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-2-5-17-10-12(15)8-13(17)14(18)16-9-11-3-6-19-7-4-11/h8,10-11H,2-7,9H2,1H3,(H,16,18).
What are the key properties of 4-bromo-N-(oxan-4-ylmethyl)-1-propylpyrrole-2-carboxamide?
4-bromo-N-(oxan-4-ylmethyl)-1-propylpyrrole-2-carboxamide has a molecular weight of 329.24 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(oxan-4-ylmethyl)-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 55226070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).