N-(2-chloro-4-iodophenyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide

C14H14ClIN2O2 — CID 107606838

IUPACN-(2-chloro-4-iodophenyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide
SMILESCOCCn1cccc1C(=O)Nc1ccc(I)cc1Cl
InChIInChI=1S/C14H14ClIN2O2/c1-20-8-7-18-6-2-3-13(18)14(19)17-12-5-4-10(16)9-11(12)15/h2-6,9H,7-8H2,1H3,(H,17,19)
InChIKeyULSIMGTVYVWTIL-UHFFFAOYSA-N
MW404.64 g/mol
LogP3.64
Rot. Bonds5

About N-(2-chloro-4-iodophenyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide

N-(2-chloro-4-iodophenyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide (PubChem CID 107606838) has the molecular formula C14H14ClIN2O2 and a molecular weight of 404.64 g/mol. Its IUPAC name is N-(2-chloro-4-iodophenyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-iodophenyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide
PubChem CID107606838
Molecular FormulaC14H14ClIN2O2
Molecular Weight404.64 g/mol
Exact Mass403.98
IUPAC NameN-(2-chloro-4-iodophenyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide
SMILESCOCCn1cccc1C(=O)Nc1ccc(I)cc1Cl
InChIInChI=1S/C14H14ClIN2O2/c1-20-8-7-18-6-2-3-13(18)14(19)17-12-5-4-10(16)9-11(12)15/h2-6,9H,7-8H2,1H3,(H,17,19)
InChIKeyULSIMGTVYVWTIL-UHFFFAOYSA-N
XLogP3.64
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.64
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-4-iodophenyl)-1-ethylpyrrole-2-carboxamide
CID 107606836
N-(5-amino-2-fluorophenyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 114610046
N-(2-chloro-4-iodophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 103873896
N-(2-chloro-4-methoxyphenyl)-1-(2-phenylethyl)pyrrole-2-carboxamide
CID 86876655
1-[2-(2-chloro-4-iodoanilino)-2-oxoethyl]pyrrole-2-carboxylic acid
CID 107605953
N-(5-chloropyrazin-2-yl)-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 107595875
1-[1-(2-methoxyethyl)pyrrol-2-yl]ethanone
CID 45086402
3-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]pyridine-4-carboxylic acid
CID 114608879
N-[3-(aminomethyl)phenyl]-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 114610220
5-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]thiophene-2-carboxylic acid
CID 114608677
N-(2-chloro-4-iodophenyl)acetamide
CID 18434368
N-(6-bromo-2-pyridinyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 114609182

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-iodophenyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide?
The IUPAC name of N-(2-chloro-4-iodophenyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide (CID 107606838) is N-(2-chloro-4-iodophenyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide.
What is the SMILES notation for N-(2-chloro-4-iodophenyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide?
The canonical SMILES for N-(2-chloro-4-iodophenyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide is COCCn1cccc1C(=O)Nc1ccc(I)cc1Cl.
What is the InChIKey of N-(2-chloro-4-iodophenyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide?
The InChIKey is ULSIMGTVYVWTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClIN2O2/c1-20-8-7-18-6-2-3-13(18)14(19)17-12-5-4-10(16)9-11(12)15/h2-6,9H,7-8H2,1H3,(H,17,19).
What are the key properties of N-(2-chloro-4-iodophenyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide?
N-(2-chloro-4-iodophenyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide has a molecular weight of 404.64 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-iodophenyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 107606838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).