4-amino-N-(3-iodophenyl)-1-propan-2-ylpyrrole-2-carboxamide

C14H16IN3O — CID 43643244

IUPAC4-amino-N-(3-iodophenyl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cc(N)cc1C(=O)Nc1cccc(I)c1
InChIInChI=1S/C14H16IN3O/c1-9(2)18-8-11(16)7-13(18)14(19)17-12-5-3-4-10(15)6-12/h3-9H,16H2,1-2H3,(H,17,19)
InChIKeyNJXRUAFRULBKFV-UHFFFAOYSA-N
MW369.21 g/mol
LogP3.51
Rot. Bonds3

About 4-amino-N-(3-iodophenyl)-1-propan-2-ylpyrrole-2-carboxamide

4-amino-N-(3-iodophenyl)-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 43643244) has the molecular formula C14H16IN3O and a molecular weight of 369.21 g/mol. Its IUPAC name is 4-amino-N-(3-iodophenyl)-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-iodophenyl)-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID43643244
Molecular FormulaC14H16IN3O
Molecular Weight369.21 g/mol
Exact Mass369.03
IUPAC Name4-amino-N-(3-iodophenyl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cc(N)cc1C(=O)Nc1cccc(I)c1
InChIInChI=1S/C14H16IN3O/c1-9(2)18-8-11(16)7-13(18)14(19)17-12-5-3-4-10(15)6-12/h3-9H,16H2,1-2H3,(H,17,19)
InChIKeyNJXRUAFRULBKFV-UHFFFAOYSA-N
XLogP3.51
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.21
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-amino-1-ethyl-N-(3-iodophenyl)pyrrole-2-carboxamide
CID 43643246
4-amino-N-(4-methoxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43642223
4-amino-N-[4-(dimethylamino)phenyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 43644133
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-(2-chloro-6-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 66254121
4-amino-N-(5-chloro-2-fluorophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43643581
4-amino-N-(2-ethylsulfanylphenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 61104686
4-chloro-N-[3-(hydroxymethyl)phenyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 61000804
4-amino-N-(5-bromo-2-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43805816
3,5-diamino-N-(3-iodophenyl)benzamide
CID 61095528
4-amino-1-propan-2-yl-N-(2,4,6-tribromophenyl)pyrrole-2-carboxamide
CID 43643274

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-iodophenyl)-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(3-iodophenyl)-1-propan-2-ylpyrrole-2-carboxamide (CID 43643244) is 4-amino-N-(3-iodophenyl)-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(3-iodophenyl)-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(3-iodophenyl)-1-propan-2-ylpyrrole-2-carboxamide is CC(C)n1cc(N)cc1C(=O)Nc1cccc(I)c1.
What is the InChIKey of 4-amino-N-(3-iodophenyl)-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is NJXRUAFRULBKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16IN3O/c1-9(2)18-8-11(16)7-13(18)14(19)17-12-5-3-4-10(15)6-12/h3-9H,16H2,1-2H3,(H,17,19).
What are the key properties of 4-amino-N-(3-iodophenyl)-1-propan-2-ylpyrrole-2-carboxamide?
4-amino-N-(3-iodophenyl)-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 369.21 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-iodophenyl)-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 43643244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).