N-(3,5-dichloro-2-hydroxyphenyl)-1-ethylpyrrole-2-carboxamide

C13H12Cl2N2O2 — CID 107675583

IUPACN-(3,5-dichloro-2-hydroxyphenyl)-1-ethylpyrrole-2-carboxamide
SMILESCCn1cccc1C(=O)Nc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C13H12Cl2N2O2/c1-2-17-5-3-4-11(17)13(19)16-10-7-8(14)6-9(15)12(10)18/h3-7,18H,2H2,1H3,(H,16,19)
InChIKeyAYVPZBPSJYJHMR-UHFFFAOYSA-N
MW299.16 g/mol
LogP3.77
Rot. Bonds3

About N-(3,5-dichloro-2-hydroxyphenyl)-1-ethylpyrrole-2-carboxamide

N-(3,5-dichloro-2-hydroxyphenyl)-1-ethylpyrrole-2-carboxamide (PubChem CID 107675583) has the molecular formula C13H12Cl2N2O2 and a molecular weight of 299.16 g/mol. Its IUPAC name is N-(3,5-dichloro-2-hydroxyphenyl)-1-ethylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichloro-2-hydroxyphenyl)-1-ethylpyrrole-2-carboxamide
PubChem CID107675583
Molecular FormulaC13H12Cl2N2O2
Molecular Weight299.16 g/mol
Exact Mass298.03
IUPAC NameN-(3,5-dichloro-2-hydroxyphenyl)-1-ethylpyrrole-2-carboxamide
SMILESCCn1cccc1C(=O)Nc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C13H12Cl2N2O2/c1-2-17-5-3-4-11(17)13(19)16-10-7-8(14)6-9(15)12(10)18/h3-7,18H,2H2,1H3,(H,16,19)
InChIKeyAYVPZBPSJYJHMR-UHFFFAOYSA-N
XLogP3.77
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-4-iodophenyl)-1-ethylpyrrole-2-carboxamide
CID 107606836
N-(5-bromo-2-chlorophenyl)-1-ethylpyrrole-2-carboxamide
CID 62908256
2-chloro-4-[(1-ethylpyrrole-2-carbonyl)amino]benzoic acid
CID 61398408
3,6-dichloro-2-[(1-ethylpyrrole-2-carbonyl)amino]benzoic acid
CID 107047837
1-ethyl-N-(4-iodophenyl)pyrrole-2-carboxamide
CID 61400251
N-(3,5-dichloro-2-hydroxyphenyl)-2-hydroxybenzamide
CID 3067488
4-chloro-N-(3,5-dichloro-2-hydroxyphenyl)benzamide
CID 107675874
N-(3,5-dichloro-2-hydroxyphenyl)-3-methylimidazole-4-carboxamide
CID 107675810
N-(3,5-dichloro-2-hydroxyphenyl)-4-hydroxy-3-methylbenzamide
CID 103958263
2-bromo-N-(3,5-dichloro-2-hydroxyphenyl)-3-methylbenzamide
CID 104625899
N-(3,5-dichloro-2-hydroxyphenyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 103891192
2,5-dichloro-N-(3,5-dichloro-2-hydroxyphenyl)benzamide
CID 103891166

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-2-hydroxyphenyl)-1-ethylpyrrole-2-carboxamide?
The IUPAC name of N-(3,5-dichloro-2-hydroxyphenyl)-1-ethylpyrrole-2-carboxamide (CID 107675583) is N-(3,5-dichloro-2-hydroxyphenyl)-1-ethylpyrrole-2-carboxamide.
What is the SMILES notation for N-(3,5-dichloro-2-hydroxyphenyl)-1-ethylpyrrole-2-carboxamide?
The canonical SMILES for N-(3,5-dichloro-2-hydroxyphenyl)-1-ethylpyrrole-2-carboxamide is CCn1cccc1C(=O)Nc1cc(Cl)cc(Cl)c1O.
What is the InChIKey of N-(3,5-dichloro-2-hydroxyphenyl)-1-ethylpyrrole-2-carboxamide?
The InChIKey is AYVPZBPSJYJHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O2/c1-2-17-5-3-4-11(17)13(19)16-10-7-8(14)6-9(15)12(10)18/h3-7,18H,2H2,1H3,(H,16,19).
What are the key properties of N-(3,5-dichloro-2-hydroxyphenyl)-1-ethylpyrrole-2-carboxamide?
N-(3,5-dichloro-2-hydroxyphenyl)-1-ethylpyrrole-2-carboxamide has a molecular weight of 299.16 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-2-hydroxyphenyl)-1-ethylpyrrole-2-carboxamide is sourced from PubChem (CID 107675583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).