4-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-3-hydroxybenzoic acid

C13H10Cl2N2O4 — CID 60826732

IUPAC4-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-3-hydroxybenzoic acid
SMILESCn1c(C(=O)Nc2ccc(C(=O)O)cc2O)cc(Cl)c1Cl
InChIInChI=1S/C13H10Cl2N2O4/c1-17-9(5-7(14)11(17)15)12(19)16-8-3-2-6(13(20)21)4-10(8)18/h2-5,18H,1H3,(H,16,19)(H,20,21)
InChIKeyFWDQWFFGGSRQNM-UHFFFAOYSA-N
MW329.14 g/mol
LogP2.99
Rot. Bonds3

About 4-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-3-hydroxybenzoic acid

4-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-3-hydroxybenzoic acid (PubChem CID 60826732) has the molecular formula C13H10Cl2N2O4 and a molecular weight of 329.14 g/mol. Its IUPAC name is 4-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-3-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-3-hydroxybenzoic acid
PubChem CID60826732
Molecular FormulaC13H10Cl2N2O4
Molecular Weight329.14 g/mol
Exact Mass328.00
IUPAC Name4-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-3-hydroxybenzoic acid
SMILESCn1c(C(=O)Nc2ccc(C(=O)O)cc2O)cc(Cl)c1Cl
InChIInChI=1S/C13H10Cl2N2O4/c1-17-9(5-7(14)11(17)15)12(19)16-8-3-2-6(13(20)21)4-10(8)18/h2-5,18H,1H3,(H,16,19)(H,20,21)
InChIKeyFWDQWFFGGSRQNM-UHFFFAOYSA-N
XLogP2.99
TPSA91.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.14
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(3,5-dichlorobenzoyl)amino]-3-hydroxybenzoic acid;ethane
CID 153343129
4-[(2,6-dichlorobenzoyl)amino]-3-hydroxybenzoic acid
CID 60825182
3-hydroxy-4-[(2,3,6-trichlorobenzoyl)amino]benzoic acid
CID 108744147
N-(2-bromo-4-methylphenyl)-4,5-dichloro-1-methylpyrrole-2-carboxamide
CID 55600384
methyl 3-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-4-fluorobenzoate
CID 78858549
4-[(4-tert-butylbenzoyl)amino]-3-hydroxybenzoic acid
CID 108744180
4-[(3-bromo-5-chlorobenzoyl)amino]-3-hydroxybenzoic acid
CID 107937789
3-hydroxy-4-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]benzoic acid
CID 60826901
N-(2-acetamido-4,5-difluorophenyl)-4,5-dichloro-1-methylpyrrole-2-carboxamide
CID 99796213
4-[(5,6-dichloropyridine-3-carbonyl)amino]-3-hydroxybenzoic acid
CID 60826406
4,5-dichloro-N-[2-(hydroxymethyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 61497972
4-[(2-chloro-4-methoxybenzoyl)amino]-3-hydroxybenzoic acid
CID 58230869

Frequently Asked Questions

What is the IUPAC name of 4-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-3-hydroxybenzoic acid?
The IUPAC name of 4-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-3-hydroxybenzoic acid (CID 60826732) is 4-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-3-hydroxybenzoic acid.
What is the SMILES notation for 4-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-3-hydroxybenzoic acid?
The canonical SMILES for 4-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-3-hydroxybenzoic acid is Cn1c(C(=O)Nc2ccc(C(=O)O)cc2O)cc(Cl)c1Cl.
What is the InChIKey of 4-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-3-hydroxybenzoic acid?
The InChIKey is FWDQWFFGGSRQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O4/c1-17-9(5-7(14)11(17)15)12(19)16-8-3-2-6(13(20)21)4-10(8)18/h2-5,18H,1H3,(H,16,19)(H,20,21).
What are the key properties of 4-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-3-hydroxybenzoic acid?
4-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-3-hydroxybenzoic acid has a molecular weight of 329.14 g/mol, XLogP of 2.99, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-3-hydroxybenzoic acid is sourced from PubChem (CID 60826732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).