4-amino-1-ethyl-N-(3-iodophenyl)pyrrole-2-carboxamide

C13H14IN3O — CID 43643246

IUPAC4-amino-1-ethyl-N-(3-iodophenyl)pyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)Nc1cccc(I)c1
InChIInChI=1S/C13H14IN3O/c1-2-17-8-10(15)7-12(17)13(18)16-11-5-3-4-9(14)6-11/h3-8H,2,15H2,1H3,(H,16,18)
InChIKeyOZDQJKKLSXDOPK-UHFFFAOYSA-N
MW355.18 g/mol
LogP2.95
Rot. Bonds3

About 4-amino-1-ethyl-N-(3-iodophenyl)pyrrole-2-carboxamide

4-amino-1-ethyl-N-(3-iodophenyl)pyrrole-2-carboxamide (PubChem CID 43643246) has the molecular formula C13H14IN3O and a molecular weight of 355.18 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-(3-iodophenyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-(3-iodophenyl)pyrrole-2-carboxamide
PubChem CID43643246
Molecular FormulaC13H14IN3O
Molecular Weight355.18 g/mol
Exact Mass355.02
IUPAC Name4-amino-1-ethyl-N-(3-iodophenyl)pyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)Nc1cccc(I)c1
InChIInChI=1S/C13H14IN3O/c1-2-17-8-10(15)7-12(17)13(18)16-11-5-3-4-9(14)6-11/h3-8H,2,15H2,1H3,(H,16,18)
InChIKeyOZDQJKKLSXDOPK-UHFFFAOYSA-N
XLogP2.95
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.18
LogP ≤ 52.95
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-N-(3-ethoxyphenyl)-1-ethylpyrrole-2-carboxamide
CID 61103176
methyl 3-[(4-amino-1-ethylpyrrole-2-carbonyl)amino]benzoate
CID 61112066
4-amino-N-(3-iodophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43643244
4-amino-1-ethyl-N-(4-methylphenyl)pyrrole-2-carboxamide
CID 43642219
4-amino-1-ethyl-N-[4-(trifluoromethyl)phenyl]pyrrole-2-carboxamide
CID 43642862
4-amino-N-(1-benzothiophen-5-yl)-1-ethylpyrrole-2-carboxamide
CID 65475007
4-amino-N-(3-chloro-4-methoxyphenyl)-1-ethylpyrrole-2-carboxamide
CID 43642694
4-amino-1-ethyl-N-(2-sulfamoylphenyl)pyrrole-2-carboxamide
CID 61128385
4-amino-N-(3-chloro-5-fluorophenyl)-1-ethylpyrrole-2-carboxamide
CID 107363420
4-amino-N-(5-bromo-2-methylphenyl)-1-ethylpyrrole-2-carboxamide
CID 43805818
3,5-diamino-N-(3-iodophenyl)benzamide
CID 61095528
4-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-1-propylpyrrole-2-carboxamide
CID 61103364

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-(3-iodophenyl)pyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-(3-iodophenyl)pyrrole-2-carboxamide (CID 43643246) is 4-amino-1-ethyl-N-(3-iodophenyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-(3-iodophenyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-(3-iodophenyl)pyrrole-2-carboxamide is CCn1cc(N)cc1C(=O)Nc1cccc(I)c1.
What is the InChIKey of 4-amino-1-ethyl-N-(3-iodophenyl)pyrrole-2-carboxamide?
The InChIKey is OZDQJKKLSXDOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14IN3O/c1-2-17-8-10(15)7-12(17)13(18)16-11-5-3-4-9(14)6-11/h3-8H,2,15H2,1H3,(H,16,18).
What are the key properties of 4-amino-1-ethyl-N-(3-iodophenyl)pyrrole-2-carboxamide?
4-amino-1-ethyl-N-(3-iodophenyl)pyrrole-2-carboxamide has a molecular weight of 355.18 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-(3-iodophenyl)pyrrole-2-carboxamide is sourced from PubChem (CID 43643246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).