2-[3-[(3,4-dichlorophenyl)methyl-methylcarbamoyl]-4-hydroxy-5-oxo-2H-pyrrol-1-yl]acetic acid

C15H14Cl2N2O5 — CID 54691730

IUPAC2-[3-[(3,4-dichlorophenyl)methyl-methylcarbamoyl]-4-hydroxy-5-oxo-2H-pyrrol-1-yl]acetic acid
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C1=C(O)C(=O)N(CC(=O)O)C1
InChIInChI=1S/C15H14Cl2N2O5/c1-18(5-8-2-3-10(16)11(17)4-8)14(23)9-6-19(7-12(20)21)15(24)13(9)22/h2-4,22H,5-7H2,1H3,(H,20,21)
InChIKeySVCUCWFEMYSREG-UHFFFAOYSA-N
MW373.19 g/mol
LogP1.69
Rot. Bonds5

About 2-[3-[(3,4-dichlorophenyl)methyl-methylcarbamoyl]-4-hydroxy-5-oxo-2H-pyrrol-1-yl]acetic acid

2-[3-[(3,4-dichlorophenyl)methyl-methylcarbamoyl]-4-hydroxy-5-oxo-2H-pyrrol-1-yl]acetic acid (PubChem CID 54691730) has the molecular formula C15H14Cl2N2O5 and a molecular weight of 373.19 g/mol. Its IUPAC name is 2-[3-[(3,4-dichlorophenyl)methyl-methylcarbamoyl]-4-hydroxy-5-oxo-2H-pyrrol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[(3,4-dichlorophenyl)methyl-methylcarbamoyl]-4-hydroxy-5-oxo-2H-pyrrol-1-yl]acetic acid
PubChem CID54691730
Molecular FormulaC15H14Cl2N2O5
Molecular Weight373.19 g/mol
Exact Mass372.03
IUPAC Name2-[3-[(3,4-dichlorophenyl)methyl-methylcarbamoyl]-4-hydroxy-5-oxo-2H-pyrrol-1-yl]acetic acid
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C1=C(O)C(=O)N(CC(=O)O)C1
InChIInChI=1S/C15H14Cl2N2O5/c1-18(5-8-2-3-10(16)11(17)4-8)14(23)9-6-19(7-12(20)21)15(24)13(9)22/h2-4,22H,5-7H2,1H3,(H,20,21)
InChIKeySVCUCWFEMYSREG-UHFFFAOYSA-N
XLogP1.69
TPSA98.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.19
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-Hydroxy-1-methyl-5-oxo-2,5-dihydro-1h-pyrrole-3-carboxylic acid [3-(3,4-dichlorophenyl)-propyl]-amide
CID 54704622
1-benzyl-N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide
CID 89489363
N-[3-(3,4-dichlorophenyl)propyl]-1-ethyl-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide
CID 89489436
N-[2-(3,4-dichlorophenyl)ethyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
CID 90302407
ethyl 1-[(3,4-dichlorophenyl)methyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylate
CID 54737683
N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-(2-methylpropyl)-5-oxo-2H-pyrrole-3-carboxamide
CID 89489350
N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-(3-methylbutyl)-5-oxo-2H-pyrrole-3-carboxamide
CID 89489382
1-butyl-N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide
CID 89489402
1-[(3-chlorophenyl)methyl]-N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide
CID 89489403
2-[[1-[(4-Chlorophenyl)methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
CID 118176790
2-[3-[(3,4-Dichlorophenyl)methyl]-4,5-dimethyl-2,6-dioxopyrimidin-1-yl]acetic acid
CID 15084539
N-[(3,4-dichlorophenyl)methyl]-4-hydroxy-N-methyl-1-(2-morpholinoethyl)-5-oxo-2H-pyrrole-3-carboxamide
CID 54691036

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3,4-dichlorophenyl)methyl-methylcarbamoyl]-4-hydroxy-5-oxo-2H-pyrrol-1-yl]acetic acid?
The IUPAC name of 2-[3-[(3,4-dichlorophenyl)methyl-methylcarbamoyl]-4-hydroxy-5-oxo-2H-pyrrol-1-yl]acetic acid (CID 54691730) is 2-[3-[(3,4-dichlorophenyl)methyl-methylcarbamoyl]-4-hydroxy-5-oxo-2H-pyrrol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[(3,4-dichlorophenyl)methyl-methylcarbamoyl]-4-hydroxy-5-oxo-2H-pyrrol-1-yl]acetic acid?
The canonical SMILES for 2-[3-[(3,4-dichlorophenyl)methyl-methylcarbamoyl]-4-hydroxy-5-oxo-2H-pyrrol-1-yl]acetic acid is CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C1=C(O)C(=O)N(CC(=O)O)C1.
What is the InChIKey of 2-[3-[(3,4-dichlorophenyl)methyl-methylcarbamoyl]-4-hydroxy-5-oxo-2H-pyrrol-1-yl]acetic acid?
The InChIKey is SVCUCWFEMYSREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O5/c1-18(5-8-2-3-10(16)11(17)4-8)14(23)9-6-19(7-12(20)21)15(24)13(9)22/h2-4,22H,5-7H2,1H3,(H,20,21).
What are the key properties of 2-[3-[(3,4-dichlorophenyl)methyl-methylcarbamoyl]-4-hydroxy-5-oxo-2H-pyrrol-1-yl]acetic acid?
2-[3-[(3,4-dichlorophenyl)methyl-methylcarbamoyl]-4-hydroxy-5-oxo-2H-pyrrol-1-yl]acetic acid has a molecular weight of 373.19 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3,4-dichlorophenyl)methyl-methylcarbamoyl]-4-hydroxy-5-oxo-2H-pyrrol-1-yl]acetic acid is sourced from PubChem (CID 54691730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).