4,5-dichloro-N-(2-iodophenyl)-1H-pyrrole-2-carboxamide

C11H7Cl2IN2O — CID 31301419

IUPAC4,5-dichloro-N-(2-iodophenyl)-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1ccccc1I)c1cc(Cl)c(Cl)[nH]1
InChIInChI=1S/C11H7Cl2IN2O/c12-6-5-9(15-10(6)13)11(17)16-8-4-2-1-3-7(8)14/h1-5,15H,(H,16,17)
InChIKeyZCGUSERVWRBSSG-UHFFFAOYSA-N
MW381.00 g/mol
LogP4.18
Rot. Bonds2

About 4,5-dichloro-N-(2-iodophenyl)-1H-pyrrole-2-carboxamide

4,5-dichloro-N-(2-iodophenyl)-1H-pyrrole-2-carboxamide (PubChem CID 31301419) has the molecular formula C11H7Cl2IN2O and a molecular weight of 381.00 g/mol. Its IUPAC name is 4,5-dichloro-N-(2-iodophenyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-N-(2-iodophenyl)-1H-pyrrole-2-carboxamide
PubChem CID31301419
Molecular FormulaC11H7Cl2IN2O
Molecular Weight381.00 g/mol
Exact Mass379.90
IUPAC Name4,5-dichloro-N-(2-iodophenyl)-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1ccccc1I)c1cc(Cl)c(Cl)[nH]1
InChIInChI=1S/C11H7Cl2IN2O/c12-6-5-9(15-10(6)13)11(17)16-8-4-2-1-3-7(8)14/h1-5,15H,(H,16,17)
InChIKeyZCGUSERVWRBSSG-UHFFFAOYSA-N
XLogP4.18
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.00
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,5-dichloro-N-[2-(methylaminomethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 43601084
N-(3-acetamidophenyl)-4,5-dichloro-1H-pyrrole-2-carboxamide
CID 31301489
N-(2-bromo-4-fluorophenyl)-4,5-dichloro-1H-pyrrole-2-carboxamide
CID 43134338
N-(5-bromo-2-methylphenyl)-4,5-dichloro-1H-pyrrole-2-carboxamide
CID 43806529
4,5-dichloro-N-(3-chloro-4-hydroxyphenyl)-1H-pyrrole-2-carboxamide
CID 64787518
4-fluoro-N-(2-iodophenyl)benzamide
CID 687036
4,5-dichloro-N-(2-hydroxy-4-nitrophenyl)-1H-pyrrole-2-carboxamide
CID 107745266
5-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]-2,4-difluorobenzoic acid
CID 60828597
2-chloro-N-(2-iodophenyl)-4-methylbenzamide
CID 106491010
2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]-5-methoxybenzoic acid
CID 115410909
N-(4-chloro-2-iodophenyl)-1H-indole-2-carboxamide
CID 103766830
2-chloro-4-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]benzoic acid
CID 61398560

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-(2-iodophenyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4,5-dichloro-N-(2-iodophenyl)-1H-pyrrole-2-carboxamide (CID 31301419) is 4,5-dichloro-N-(2-iodophenyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4,5-dichloro-N-(2-iodophenyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4,5-dichloro-N-(2-iodophenyl)-1H-pyrrole-2-carboxamide is O=C(Nc1ccccc1I)c1cc(Cl)c(Cl)[nH]1.
What is the InChIKey of 4,5-dichloro-N-(2-iodophenyl)-1H-pyrrole-2-carboxamide?
The InChIKey is ZCGUSERVWRBSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2IN2O/c12-6-5-9(15-10(6)13)11(17)16-8-4-2-1-3-7(8)14/h1-5,15H,(H,16,17).
What are the key properties of 4,5-dichloro-N-(2-iodophenyl)-1H-pyrrole-2-carboxamide?
4,5-dichloro-N-(2-iodophenyl)-1H-pyrrole-2-carboxamide has a molecular weight of 381.00 g/mol, XLogP of 4.18, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-(2-iodophenyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 31301419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).