4-bromo-N-[(2-methylpropan-2-yl)oxy]-1-propylpyrrole-2-carboxamide

C12H19BrN2O2 — CID 107857541

IUPAC4-bromo-N-[(2-methylpropan-2-yl)oxy]-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Br)cc1C(=O)NOC(C)(C)C
InChIInChI=1S/C12H19BrN2O2/c1-5-6-15-8-9(13)7-10(15)11(16)14-17-12(2,3)4/h7-8H,5-6H2,1-4H3,(H,14,16)
InChIKeyYAAQGCVTVZNFSP-UHFFFAOYSA-N
MW303.20 g/mol
LogP3.12
Rot. Bonds4

About 4-bromo-N-[(2-methylpropan-2-yl)oxy]-1-propylpyrrole-2-carboxamide

4-bromo-N-[(2-methylpropan-2-yl)oxy]-1-propylpyrrole-2-carboxamide (PubChem CID 107857541) has the molecular formula C12H19BrN2O2 and a molecular weight of 303.20 g/mol. Its IUPAC name is 4-bromo-N-[(2-methylpropan-2-yl)oxy]-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[(2-methylpropan-2-yl)oxy]-1-propylpyrrole-2-carboxamide
PubChem CID107857541
Molecular FormulaC12H19BrN2O2
Molecular Weight303.20 g/mol
Exact Mass302.06
IUPAC Name4-bromo-N-[(2-methylpropan-2-yl)oxy]-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Br)cc1C(=O)NOC(C)(C)C
InChIInChI=1S/C12H19BrN2O2/c1-5-6-15-8-9(13)7-10(15)11(16)14-17-12(2,3)4/h7-8H,5-6H2,1-4H3,(H,14,16)
InChIKeyYAAQGCVTVZNFSP-UHFFFAOYSA-N
XLogP3.12
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]-2-methylbutanoic acid
CID 79792804
4-bromo-N-(2-methyl-2-methylsulfanylpropyl)-1-propylpyrrole-2-carboxamide
CID 113478915
4-bromo-N-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylpyrrole-2-carboxamide
CID 103868655
4-bromo-N-(cyclopropylmethyl)-1-propylpyrrole-2-carboxamide
CID 43640684
4-bromo-N-(2-methylcyclopropyl)-1-propylpyrrole-2-carboxamide
CID 62408221
4-bromo-N-(4-methoxyphenyl)-1-propylpyrrole-2-carboxamide
CID 43641190
4-bromo-N-(3-hydroxypropyl)-1-propylpyrrole-2-carboxamide
CID 43639903
N-[[4-(aminomethyl)phenyl]methyl]-4-bromo-1-propylpyrrole-2-carboxamide
CID 81093916
N-[(4-aminophenyl)methyl]-4-bromo-1-propylpyrrole-2-carboxamide
CID 116650037
3-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]-2-methylpropanoic acid
CID 62675869
4-bromo-N-piperidin-1-yl-1-propylpyrrole-2-carboxamide
CID 83017011
3-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]-2-methoxypropanoic acid
CID 114144339

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(2-methylpropan-2-yl)oxy]-1-propylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-[(2-methylpropan-2-yl)oxy]-1-propylpyrrole-2-carboxamide (CID 107857541) is 4-bromo-N-[(2-methylpropan-2-yl)oxy]-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[(2-methylpropan-2-yl)oxy]-1-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-[(2-methylpropan-2-yl)oxy]-1-propylpyrrole-2-carboxamide is CCCn1cc(Br)cc1C(=O)NOC(C)(C)C.
What is the InChIKey of 4-bromo-N-[(2-methylpropan-2-yl)oxy]-1-propylpyrrole-2-carboxamide?
The InChIKey is YAAQGCVTVZNFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O2/c1-5-6-15-8-9(13)7-10(15)11(16)14-17-12(2,3)4/h7-8H,5-6H2,1-4H3,(H,14,16).
What are the key properties of 4-bromo-N-[(2-methylpropan-2-yl)oxy]-1-propylpyrrole-2-carboxamide?
4-bromo-N-[(2-methylpropan-2-yl)oxy]-1-propylpyrrole-2-carboxamide has a molecular weight of 303.20 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(2-methylpropan-2-yl)oxy]-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 107857541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).