4-amino-1-propan-2-yl-N-(2,4,6-tribromophenyl)pyrrole-2-carboxamide

C14H14Br3N3O — CID 43643274

IUPAC4-amino-1-propan-2-yl-N-(2,4,6-tribromophenyl)pyrrole-2-carboxamide
SMILESCC(C)n1cc(N)cc1C(=O)Nc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C14H14Br3N3O/c1-7(2)20-6-9(18)5-12(20)14(21)19-13-10(16)3-8(15)4-11(13)17/h3-7H,18H2,1-2H3,(H,19,21)
InChIKeyVWWBWIUMZCCOFJ-UHFFFAOYSA-N
MW480.00 g/mol
LogP5.19
Rot. Bonds3

About 4-amino-1-propan-2-yl-N-(2,4,6-tribromophenyl)pyrrole-2-carboxamide

4-amino-1-propan-2-yl-N-(2,4,6-tribromophenyl)pyrrole-2-carboxamide (PubChem CID 43643274) has the molecular formula C14H14Br3N3O and a molecular weight of 480.00 g/mol. Its IUPAC name is 4-amino-1-propan-2-yl-N-(2,4,6-tribromophenyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-propan-2-yl-N-(2,4,6-tribromophenyl)pyrrole-2-carboxamide
PubChem CID43643274
Molecular FormulaC14H14Br3N3O
Molecular Weight480.00 g/mol
Exact Mass476.87
IUPAC Name4-amino-1-propan-2-yl-N-(2,4,6-tribromophenyl)pyrrole-2-carboxamide
SMILESCC(C)n1cc(N)cc1C(=O)Nc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C14H14Br3N3O/c1-7(2)20-6-9(18)5-12(20)14(21)19-13-10(16)3-8(15)4-11(13)17/h3-7H,18H2,1-2H3,(H,19,21)
InChIKeyVWWBWIUMZCCOFJ-UHFFFAOYSA-N
XLogP5.19
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.00
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-amino-1-propan-2-yl-N-(2,4,6-tribromophenyl)pyrrole-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-amino-N-(5-bromo-2-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43805816
4-amino-N-(2-bromo-5-fluorophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 107624248
4-amino-N-(2,6-dichloro-4-fluorophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 83077744
4-amino-N-(2-chloro-6-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 66254121
4-amino-N-(4-methoxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43642223
4-amino-N-(1H-imidazol-2-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 63564434
4-amino-1-propan-2-yl-N-(1,3-thiazol-2-yl)pyrrole-2-carboxamide
CID 43641885
4-amino-N-[4-(dimethylamino)phenyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 43644133
4-amino-N-(2,4-dichlorophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43642744
4-bromo-N-(4-bromophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43640158
4-amino-N-(3-iodophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43643244
4-amino-N-(5-chloro-2-fluorophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43643581

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-propan-2-yl-N-(2,4,6-tribromophenyl)pyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-propan-2-yl-N-(2,4,6-tribromophenyl)pyrrole-2-carboxamide (CID 43643274) is 4-amino-1-propan-2-yl-N-(2,4,6-tribromophenyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-propan-2-yl-N-(2,4,6-tribromophenyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-propan-2-yl-N-(2,4,6-tribromophenyl)pyrrole-2-carboxamide is CC(C)n1cc(N)cc1C(=O)Nc1c(Br)cc(Br)cc1Br.
What is the InChIKey of 4-amino-1-propan-2-yl-N-(2,4,6-tribromophenyl)pyrrole-2-carboxamide?
The InChIKey is VWWBWIUMZCCOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br3N3O/c1-7(2)20-6-9(18)5-12(20)14(21)19-13-10(16)3-8(15)4-11(13)17/h3-7H,18H2,1-2H3,(H,19,21).
What are the key properties of 4-amino-1-propan-2-yl-N-(2,4,6-tribromophenyl)pyrrole-2-carboxamide?
4-amino-1-propan-2-yl-N-(2,4,6-tribromophenyl)pyrrole-2-carboxamide has a molecular weight of 480.00 g/mol, XLogP of 5.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-propan-2-yl-N-(2,4,6-tribromophenyl)pyrrole-2-carboxamide is sourced from PubChem (CID 43643274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).