4-amino-N-(5-bromo-2-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide

C15H18BrN3O — CID 43805816

IUPAC4-amino-N-(5-bromo-2-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCc1ccc(Br)cc1NC(=O)c1cc(N)cn1C(C)C
InChIInChI=1S/C15H18BrN3O/c1-9(2)19-8-12(17)7-14(19)15(20)18-13-6-11(16)5-4-10(13)3/h4-9H,17H2,1-3H3,(H,18,20)
InChIKeyZYLXCZMGRJSZCV-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.97
Rot. Bonds3

About 4-amino-N-(5-bromo-2-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide

4-amino-N-(5-bromo-2-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 43805816) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 4-amino-N-(5-bromo-2-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(5-bromo-2-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID43805816
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name4-amino-N-(5-bromo-2-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCc1ccc(Br)cc1NC(=O)c1cc(N)cn1C(C)C
InChIInChI=1S/C15H18BrN3O/c1-9(2)19-8-12(17)7-14(19)15(20)18-13-6-11(16)5-4-10(13)3/h4-9H,17H2,1-3H3,(H,18,20)
InChIKeyZYLXCZMGRJSZCV-UHFFFAOYSA-N
XLogP3.97
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(5-bromo-2-methylphenyl)-1-ethylpyrrole-2-carboxamide
CID 43805818
4-amino-N-(2-bromo-5-fluorophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 107624248
4-bromo-N-(5-chloro-2-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43641233
4-amino-1-propan-2-yl-N-(2,4,6-tribromophenyl)pyrrole-2-carboxamide
CID 43643274
4-amino-N-(2-fluoro-4-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43643166
4-amino-N-(2-methyl-3-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 79042631
4-amino-N-(2,4-dichlorophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43642744
4-amino-N-(5-chloro-2-fluorophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43643581
4-amino-N-(2-methoxy-5-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43642946
N-(5-bromo-2-methylphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 61061508
4-amino-N-(3-iodophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43643244
4-amino-N-(2-ethylsulfanylphenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 61104686

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-bromo-2-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(5-bromo-2-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide (CID 43805816) is 4-amino-N-(5-bromo-2-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(5-bromo-2-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(5-bromo-2-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide is Cc1ccc(Br)cc1NC(=O)c1cc(N)cn1C(C)C.
What is the InChIKey of 4-amino-N-(5-bromo-2-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is ZYLXCZMGRJSZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-9(2)19-8-12(17)7-14(19)15(20)18-13-6-11(16)5-4-10(13)3/h4-9H,17H2,1-3H3,(H,18,20).
What are the key properties of 4-amino-N-(5-bromo-2-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide?
4-amino-N-(5-bromo-2-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 336.23 g/mol, XLogP of 3.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-bromo-2-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 43805816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).