4-bromo-1-methyl-N-[(1-methylcyclopropyl)methyl]pyrrole-2-carboxamide

C11H15BrN2O — CID 103722169

IUPAC4-bromo-1-methyl-N-[(1-methylcyclopropyl)methyl]pyrrole-2-carboxamide
SMILESCn1cc(Br)cc1C(=O)NCC1(C)CC1
InChIInChI=1S/C11H15BrN2O/c1-11(3-4-11)7-13-10(15)9-5-8(12)6-14(9)2/h5-6H,3-4,7H2,1-2H3,(H,13,15)
InChIKeyCEADCUVOGSLLJF-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.32
Rot. Bonds3

About 4-bromo-1-methyl-N-[(1-methylcyclopropyl)methyl]pyrrole-2-carboxamide

4-bromo-1-methyl-N-[(1-methylcyclopropyl)methyl]pyrrole-2-carboxamide (PubChem CID 103722169) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 4-bromo-1-methyl-N-[(1-methylcyclopropyl)methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-methyl-N-[(1-methylcyclopropyl)methyl]pyrrole-2-carboxamide
PubChem CID103722169
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name4-bromo-1-methyl-N-[(1-methylcyclopropyl)methyl]pyrrole-2-carboxamide
SMILESCn1cc(Br)cc1C(=O)NCC1(C)CC1
InChIInChI=1S/C11H15BrN2O/c1-11(3-4-11)7-13-10(15)9-5-8(12)6-14(9)2/h5-6H,3-4,7H2,1-2H3,(H,13,15)
InChIKeyCEADCUVOGSLLJF-UHFFFAOYSA-N
XLogP2.32
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-methylpyrrole-2-carboxamide
CID 105418231
4-bromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1-methylpyrrole-2-carboxamide
CID 65119775
4-bromo-1-ethyl-N-[(1-methylcyclobutyl)methyl]pyrrole-2-carboxamide
CID 103737464
4-bromo-1-methyl-N-(1-methylcyclopropyl)pyrrole-2-carboxamide
CID 115634355
4-bromo-1-methyl-N-(1-methylcyclohexyl)pyrrole-2-carboxamide
CID 61229345
3-amino-5-bromo-N-[(1,4-dimethylpiperidin-4-yl)methyl]benzamide
CID 107162922
4-bromo-N-(2-hydroxy-2-methylpropyl)-1-methylpyrrole-2-carboxamide
CID 65111825
4-bromo-1-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrrole-2-carboxamide
CID 60701907
4-bromo-1-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 114693723
4-bromo-1-methyl-N-[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]pyrrole-2-carboxamide
CID 71986188
4-bromo-N-(2-cyclopropyl-2-hydroxyethyl)-1-methylpyrrole-2-carboxamide
CID 63294689
4-bromo-1-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]pyrrole-2-carboxamide
CID 60712476

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methyl-N-[(1-methylcyclopropyl)methyl]pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-methyl-N-[(1-methylcyclopropyl)methyl]pyrrole-2-carboxamide (CID 103722169) is 4-bromo-1-methyl-N-[(1-methylcyclopropyl)methyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-methyl-N-[(1-methylcyclopropyl)methyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-methyl-N-[(1-methylcyclopropyl)methyl]pyrrole-2-carboxamide is Cn1cc(Br)cc1C(=O)NCC1(C)CC1.
What is the InChIKey of 4-bromo-1-methyl-N-[(1-methylcyclopropyl)methyl]pyrrole-2-carboxamide?
The InChIKey is CEADCUVOGSLLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-11(3-4-11)7-13-10(15)9-5-8(12)6-14(9)2/h5-6H,3-4,7H2,1-2H3,(H,13,15).
What are the key properties of 4-bromo-1-methyl-N-[(1-methylcyclopropyl)methyl]pyrrole-2-carboxamide?
4-bromo-1-methyl-N-[(1-methylcyclopropyl)methyl]pyrrole-2-carboxamide has a molecular weight of 271.16 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methyl-N-[(1-methylcyclopropyl)methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 103722169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).