4,5-dichloro-N-(3-chloro-4-hydroxyphenyl)-1H-pyrrole-2-carboxamide

C11H7Cl3N2O2 — CID 64787518

IUPAC4,5-dichloro-N-(3-chloro-4-hydroxyphenyl)-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1ccc(O)c(Cl)c1)c1cc(Cl)c(Cl)[nH]1
InChIInChI=1S/C11H7Cl3N2O2/c12-6-3-5(1-2-9(6)17)15-11(18)8-4-7(13)10(14)16-8/h1-4,16-17H,(H,15,18)
InChIKeyIHPQKHZYSCJIDO-UHFFFAOYSA-N
MW305.55 g/mol
LogP3.93
Rot. Bonds2

About 4,5-dichloro-N-(3-chloro-4-hydroxyphenyl)-1H-pyrrole-2-carboxamide

4,5-dichloro-N-(3-chloro-4-hydroxyphenyl)-1H-pyrrole-2-carboxamide (PubChem CID 64787518) has the molecular formula C11H7Cl3N2O2 and a molecular weight of 305.55 g/mol. Its IUPAC name is 4,5-dichloro-N-(3-chloro-4-hydroxyphenyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-N-(3-chloro-4-hydroxyphenyl)-1H-pyrrole-2-carboxamide
PubChem CID64787518
Molecular FormulaC11H7Cl3N2O2
Molecular Weight305.55 g/mol
Exact Mass303.96
IUPAC Name4,5-dichloro-N-(3-chloro-4-hydroxyphenyl)-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1ccc(O)c(Cl)c1)c1cc(Cl)c(Cl)[nH]1
InChIInChI=1S/C11H7Cl3N2O2/c12-6-3-5(1-2-9(6)17)15-11(18)8-4-7(13)10(14)16-8/h1-4,16-17H,(H,15,18)
InChIKeyIHPQKHZYSCJIDO-UHFFFAOYSA-N
XLogP3.93
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.55
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]benzoic acid
CID 61398560
N-(3-acetamidophenyl)-4,5-dichloro-1H-pyrrole-2-carboxamide
CID 31301489
N-(4-bromo-3-methylphenyl)-4,5-dichloro-1H-pyrrole-2-carboxamide
CID 31302300
4,5-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrole-2-carboxamide
CID 37167618
N-(3-chloro-4-hydroxyphenyl)-5-methylthiophene-2-carboxamide
CID 63935507
2-chloro-N-(3-chloro-4-hydroxyphenyl)benzamide
CID 5119935
3-chloro-N-(4-chloro-3-hydroxyphenyl)-4-hydroxybenzamide
CID 64788669
N-[4-(3-aminoprop-1-ynyl)phenyl]-4,5-dichloro-1H-pyrrole-2-carboxamide
CID 60803236
3,5-dibromo-N-(3-chloro-4-hydroxyphenyl)benzamide
CID 107972808
1-(3-chloro-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea
CID 64788304
4,5-dichloro-N-(2-iodophenyl)-1H-pyrrole-2-carboxamide
CID 31301419
N-(3-chloro-4-hydroxyphenyl)-5-fluoro-2-hydroxybenzamide
CID 115299202

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-(3-chloro-4-hydroxyphenyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4,5-dichloro-N-(3-chloro-4-hydroxyphenyl)-1H-pyrrole-2-carboxamide (CID 64787518) is 4,5-dichloro-N-(3-chloro-4-hydroxyphenyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4,5-dichloro-N-(3-chloro-4-hydroxyphenyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4,5-dichloro-N-(3-chloro-4-hydroxyphenyl)-1H-pyrrole-2-carboxamide is O=C(Nc1ccc(O)c(Cl)c1)c1cc(Cl)c(Cl)[nH]1.
What is the InChIKey of 4,5-dichloro-N-(3-chloro-4-hydroxyphenyl)-1H-pyrrole-2-carboxamide?
The InChIKey is IHPQKHZYSCJIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl3N2O2/c12-6-3-5(1-2-9(6)17)15-11(18)8-4-7(13)10(14)16-8/h1-4,16-17H,(H,15,18).
What are the key properties of 4,5-dichloro-N-(3-chloro-4-hydroxyphenyl)-1H-pyrrole-2-carboxamide?
4,5-dichloro-N-(3-chloro-4-hydroxyphenyl)-1H-pyrrole-2-carboxamide has a molecular weight of 305.55 g/mol, XLogP of 3.93, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-(3-chloro-4-hydroxyphenyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 64787518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).