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

C11H8Cl2N2O2 — CID 64787118

IUPAC4-chloro-N-(4-chloro-3-hydroxyphenyl)-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(O)c1)c1cc(Cl)c[nH]1
InChIInChI=1S/C11H8Cl2N2O2/c12-6-3-9(14-5-6)11(17)15-7-1-2-8(13)10(16)4-7/h1-5,14,16H,(H,15,17)
InChIKeyZGKYDDRKFUMOOE-UHFFFAOYSA-N
MW271.10 g/mol
LogP3.28
Rot. Bonds2

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

4-chloro-N-(4-chloro-3-hydroxyphenyl)-1H-pyrrole-2-carboxamide (PubChem CID 64787118) has the molecular formula C11H8Cl2N2O2 and a molecular weight of 271.10 g/mol. Its IUPAC name is 4-chloro-N-(4-chloro-3-hydroxyphenyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(4-chloro-3-hydroxyphenyl)-1H-pyrrole-2-carboxamide
PubChem CID64787118
Molecular FormulaC11H8Cl2N2O2
Molecular Weight271.10 g/mol
Exact Mass270.00
IUPAC Name4-chloro-N-(4-chloro-3-hydroxyphenyl)-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(O)c1)c1cc(Cl)c[nH]1
InChIInChI=1S/C11H8Cl2N2O2/c12-6-3-9(14-5-6)11(17)15-7-1-2-8(13)10(16)4-7/h1-5,14,16H,(H,15,17)
InChIKeyZGKYDDRKFUMOOE-UHFFFAOYSA-N
XLogP3.28
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.10
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dichloro-N-(4-chloro-3-hydroxyphenyl)benzamide
CID 64789245
3-[(4-chloro-1H-pyrrole-2-carbonyl)amino]benzoic acid
CID 28741856
ethyl N-[4-[(4-chloro-1H-pyrrole-2-carbonyl)amino]phenyl]carbamate
CID 87018723
N-(4-chloro-3-hydroxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 114040849
3-chloro-N-(4-chloro-3-hydroxyphenyl)-4-hydroxybenzamide
CID 64788669
4-chloro-N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]-1H-pyrrole-2-carboxamide
CID 60805059
4,5-dichloro-N-(3-chloro-4-hydroxyphenyl)-1H-pyrrole-2-carboxamide
CID 64787518
3-[3-[(4-chloro-1H-pyrrole-2-carbonyl)amino]phenyl]prop-2-enoic acid
CID 76907591
4-chloro-N-(3-ethoxyphenyl)-1H-pyrrole-2-carboxamide
CID 47340946
N-(4-chloro-3-hydroxyphenyl)-1,3-thiazole-4-carboxamide
CID 64787879
4-bromo-N-(4-bromo-3-chlorophenyl)-1H-pyrrole-2-carboxamide
CID 107613080
4-chloro-N'-(4-chlorobenzoyl)-1H-pyrrole-2-carbohydrazide
CID 18106742

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-chloro-3-hydroxyphenyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-(4-chloro-3-hydroxyphenyl)-1H-pyrrole-2-carboxamide (CID 64787118) is 4-chloro-N-(4-chloro-3-hydroxyphenyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(4-chloro-3-hydroxyphenyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-(4-chloro-3-hydroxyphenyl)-1H-pyrrole-2-carboxamide is O=C(Nc1ccc(Cl)c(O)c1)c1cc(Cl)c[nH]1.
What is the InChIKey of 4-chloro-N-(4-chloro-3-hydroxyphenyl)-1H-pyrrole-2-carboxamide?
The InChIKey is ZGKYDDRKFUMOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O2/c12-6-3-9(14-5-6)11(17)15-7-1-2-8(13)10(16)4-7/h1-5,14,16H,(H,15,17).
What are the key properties of 4-chloro-N-(4-chloro-3-hydroxyphenyl)-1H-pyrrole-2-carboxamide?
4-chloro-N-(4-chloro-3-hydroxyphenyl)-1H-pyrrole-2-carboxamide has a molecular weight of 271.10 g/mol, XLogP of 3.28, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-chloro-3-hydroxyphenyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 64787118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).