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

C11H7Cl2N3O4 — CID 107745266

IUPAC4,5-dichloro-N-(2-hydroxy-4-nitrophenyl)-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1O)c1cc(Cl)c(Cl)[nH]1
InChIInChI=1S/C11H7Cl2N3O4/c12-6-4-8(14-10(6)13)11(18)15-7-2-1-5(16(19)20)3-9(7)17/h1-4,14,17H,(H,15,18)
InChIKeyLESGLLDZCDTRBR-UHFFFAOYSA-N
MW316.10 g/mol
LogP3.19
Rot. Bonds3

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

4,5-dichloro-N-(2-hydroxy-4-nitrophenyl)-1H-pyrrole-2-carboxamide (PubChem CID 107745266) has the molecular formula C11H7Cl2N3O4 and a molecular weight of 316.10 g/mol. Its IUPAC name is 4,5-dichloro-N-(2-hydroxy-4-nitrophenyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-N-(2-hydroxy-4-nitrophenyl)-1H-pyrrole-2-carboxamide
PubChem CID107745266
Molecular FormulaC11H7Cl2N3O4
Molecular Weight316.10 g/mol
Exact Mass314.98
IUPAC Name4,5-dichloro-N-(2-hydroxy-4-nitrophenyl)-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1O)c1cc(Cl)c(Cl)[nH]1
InChIInChI=1S/C11H7Cl2N3O4/c12-6-4-8(14-10(6)13)11(18)15-7-2-1-5(16(19)20)3-9(7)17/h1-4,14,17H,(H,15,18)
InChIKeyLESGLLDZCDTRBR-UHFFFAOYSA-N
XLogP3.19
TPSA108.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.10
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-(2-hydroxy-4-nitrophenyl)-2-methylbenzamide
CID 107745088
4-(chloromethyl)-N-(2-hydroxy-4-nitrophenyl)benzamide
CID 107743843
4-chloro-N-(2-hydroxy-4-nitrophenyl)-1-methylpyrazole-5-carboxamide
CID 19476028
3-chloro-N-(2-chloro-4-nitrophenyl)-4-hydroxybenzamide
CID 25217158
2-chloro-N-(2-hydroxy-5-nitrophenyl)-4-nitrobenzamide
CID 17342396
5-chloro-N-(2-chloro-4-nitro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)-2-hydroxybenzamide
CID 71312570
N-[2-[(2-hydroxy-4-nitrophenyl)carbamoylamino]phenyl]benzamide
CID 21184645
4-bromo-2-hydroxy-N-(2-hydroxy-4-nitrophenyl)benzamide
CID 107745262
N-(2-hydroxy-4-nitrophenyl)-4,5-dihydro-1H-imidazole-2-carboxamide
CID 91901923
N-(2-chloro-4-nitrophenyl)-2-hydroxy-5-(trifluoromethyl)benzamide
CID 155662759
4,5-dichloro-N-(2-iodophenyl)-1H-pyrrole-2-carboxamide
CID 31301419
2-chloro-N-(2-chloro-4-nitrophenyl)-5-nitrobenzamide
CID 4594592

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-(2-hydroxy-4-nitrophenyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4,5-dichloro-N-(2-hydroxy-4-nitrophenyl)-1H-pyrrole-2-carboxamide (CID 107745266) is 4,5-dichloro-N-(2-hydroxy-4-nitrophenyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4,5-dichloro-N-(2-hydroxy-4-nitrophenyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4,5-dichloro-N-(2-hydroxy-4-nitrophenyl)-1H-pyrrole-2-carboxamide is O=C(Nc1ccc([N+](=O)[O-])cc1O)c1cc(Cl)c(Cl)[nH]1.
What is the InChIKey of 4,5-dichloro-N-(2-hydroxy-4-nitrophenyl)-1H-pyrrole-2-carboxamide?
The InChIKey is LESGLLDZCDTRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2N3O4/c12-6-4-8(14-10(6)13)11(18)15-7-2-1-5(16(19)20)3-9(7)17/h1-4,14,17H,(H,15,18).
What are the key properties of 4,5-dichloro-N-(2-hydroxy-4-nitrophenyl)-1H-pyrrole-2-carboxamide?
4,5-dichloro-N-(2-hydroxy-4-nitrophenyl)-1H-pyrrole-2-carboxamide has a molecular weight of 316.10 g/mol, XLogP of 3.19, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-(2-hydroxy-4-nitrophenyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 107745266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).