4-bromo-N-methoxy-N-methyl-1-propan-2-ylpyrrole-2-carboxamide

C10H15BrN2O2 — CID 60954917

IUPAC4-bromo-N-methoxy-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
SMILESCON(C)C(=O)c1cc(Br)cn1C(C)C
InChIInChI=1S/C10H15BrN2O2/c1-7(2)13-6-8(11)5-9(13)10(14)12(3)15-4/h5-7H,1-4H3
InChIKeyHXAICKCNOJUWLA-UHFFFAOYSA-N
MW275.15 g/mol
LogP2.46
Rot. Bonds3

About 4-bromo-N-methoxy-N-methyl-1-propan-2-ylpyrrole-2-carboxamide

4-bromo-N-methoxy-N-methyl-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 60954917) has the molecular formula C10H15BrN2O2 and a molecular weight of 275.15 g/mol. Its IUPAC name is 4-bromo-N-methoxy-N-methyl-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-methoxy-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID60954917
Molecular FormulaC10H15BrN2O2
Molecular Weight275.15 g/mol
Exact Mass274.03
IUPAC Name4-bromo-N-methoxy-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
SMILESCON(C)C(=O)c1cc(Br)cn1C(C)C
InChIInChI=1S/C10H15BrN2O2/c1-7(2)13-6-8(11)5-9(13)10(14)12(3)15-4/h5-7H,1-4H3
InChIKeyHXAICKCNOJUWLA-UHFFFAOYSA-N
XLogP2.46
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-(2-methoxypropyl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
CID 112754506
4-bromo-N-cyclobutyl-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
CID 115661025
4-bromo-N-methyl-N-pentan-2-yl-1-propan-2-ylpyrrole-2-carboxamide
CID 43641769
4-bromo-N-(4-hydroxyphenyl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
CID 43640162
4-bromo-N-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylpyrrole-2-carboxamide
CID 103868655
2-[(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)-propan-2-ylamino]acetic acid
CID 60831562
4-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 115772438
4-bromo-N-ethyl-N-(2-methylpropyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43641536
4-[(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)-methylamino]butanoic acid
CID 43640140
N-(3-amino-2,2-dimethylpropyl)-4-bromo-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
CID 79652985
4-bromo-N-ethyl-1-propan-2-yl-N-pyridin-4-ylpyrrole-2-carboxamide
CID 103707553
2-[(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)-cyclopropylamino]propanoic acid
CID 119203379

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-methoxy-N-methyl-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-methoxy-N-methyl-1-propan-2-ylpyrrole-2-carboxamide (CID 60954917) is 4-bromo-N-methoxy-N-methyl-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-methoxy-N-methyl-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-methoxy-N-methyl-1-propan-2-ylpyrrole-2-carboxamide is CON(C)C(=O)c1cc(Br)cn1C(C)C.
What is the InChIKey of 4-bromo-N-methoxy-N-methyl-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is HXAICKCNOJUWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2/c1-7(2)13-6-8(11)5-9(13)10(14)12(3)15-4/h5-7H,1-4H3.
What are the key properties of 4-bromo-N-methoxy-N-methyl-1-propan-2-ylpyrrole-2-carboxamide?
4-bromo-N-methoxy-N-methyl-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 275.15 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-methoxy-N-methyl-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 60954917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).