ethyl 4-(4-chloroanilino)-1-(4-chlorophenyl)-5-oxo-2H-pyrrole-2-carboxylate

C19H16Cl2N2O3 — CID 11552885

IUPACethyl 4-(4-chloroanilino)-1-(4-chlorophenyl)-5-oxo-2H-pyrrole-2-carboxylate
SMILESCCOC(=O)C1C=C(Nc2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C19H16Cl2N2O3/c1-2-26-19(25)17-11-16(22-14-7-3-12(20)4-8-14)18(24)23(17)15-9-5-13(21)6-10-15/h3-11,17,22H,2H2,1H3
InChIKeyMGALYIXUOBNSAK-UHFFFAOYSA-N
MW391.25 g/mol
LogP4.27
Rot. Bonds5

About ethyl 4-(4-chloroanilino)-1-(4-chlorophenyl)-5-oxo-2H-pyrrole-2-carboxylate

ethyl 4-(4-chloroanilino)-1-(4-chlorophenyl)-5-oxo-2H-pyrrole-2-carboxylate (PubChem CID 11552885) has the molecular formula C19H16Cl2N2O3 and a molecular weight of 391.25 g/mol. Its IUPAC name is ethyl 4-(4-chloroanilino)-1-(4-chlorophenyl)-5-oxo-2H-pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-chloroanilino)-1-(4-chlorophenyl)-5-oxo-2H-pyrrole-2-carboxylate
PubChem CID11552885
Molecular FormulaC19H16Cl2N2O3
Molecular Weight391.25 g/mol
Exact Mass390.05
IUPAC Nameethyl 4-(4-chloroanilino)-1-(4-chlorophenyl)-5-oxo-2H-pyrrole-2-carboxylate
SMILESCCOC(=O)C1C=C(Nc2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C19H16Cl2N2O3/c1-2-26-19(25)17-11-16(22-14-7-3-12(20)4-8-14)18(24)23(17)15-9-5-13(21)6-10-15/h3-11,17,22H,2H2,1H3
InChIKeyMGALYIXUOBNSAK-UHFFFAOYSA-N
XLogP4.27
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.25
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(4-methoxyanilino)-1-(4-methoxyphenyl)-3-methyl-5-oxo-2H-pyrrole-2-carboxylate
CID 3516240
ethyl 4-(4-chloroanilino)-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate
CID 3540940
ethyl 6-(4-chlorophenyl)-2-methyl-7-oxo-4-phenyl-6-azabicyclo[3.2.1]oct-3-ene-8-carboxylate
CID 134126023
ethyl (4S)-1-(4-chlorophenyl)-5-oxo-4H-pyrazole-4-carboxylate
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ethyl (2R,3R)-1-(4-chlorophenyl)-3-phenylaziridine-2-carboxylate
CID 11808800
ethyl 3-[[(3R,4S)-1-(4-chlorophenyl)-2-oxo-4-phenylazetidin-3-yl]amino]but-2-enoate
CID 70575023
ethyl 4-(4-chloroanilino)-2-oxo-6-phenylcyclohex-3-ene-1-carboxylate
CID 42600183
ethyl 4-(4-methoxyanilino)-1-(4-methoxyphenyl)-5-oxo-2-phenyl-2H-pyrrole-3-carboxylate
CID 162674101
N-(4-chlorophenyl)formamide;ethyl cyclopropanecarboxylate;N-[4-(2-oxo-1-pyridinyl)phenyl]formamide
CID 143223779
ethyl 2-[(4S)-3-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]acetate
CID 6990477
ethyl 2-(4-chlorophenyl)-3,4-dihydropyrazole-3-carboxylate
CID 70901273
ethyl (4R,5S)-1-[4-(4-chlorophenoxy)phenyl]-3-(4-methylphenyl)sulfonyl-2-oxo-5-phenylimidazolidine-4-carboxylate
CID 59485673

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-chloroanilino)-1-(4-chlorophenyl)-5-oxo-2H-pyrrole-2-carboxylate?
The IUPAC name of ethyl 4-(4-chloroanilino)-1-(4-chlorophenyl)-5-oxo-2H-pyrrole-2-carboxylate (CID 11552885) is ethyl 4-(4-chloroanilino)-1-(4-chlorophenyl)-5-oxo-2H-pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 4-(4-chloroanilino)-1-(4-chlorophenyl)-5-oxo-2H-pyrrole-2-carboxylate?
The canonical SMILES for ethyl 4-(4-chloroanilino)-1-(4-chlorophenyl)-5-oxo-2H-pyrrole-2-carboxylate is CCOC(=O)C1C=C(Nc2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1.
What is the InChIKey of ethyl 4-(4-chloroanilino)-1-(4-chlorophenyl)-5-oxo-2H-pyrrole-2-carboxylate?
The InChIKey is MGALYIXUOBNSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O3/c1-2-26-19(25)17-11-16(22-14-7-3-12(20)4-8-14)18(24)23(17)15-9-5-13(21)6-10-15/h3-11,17,22H,2H2,1H3.
What are the key properties of ethyl 4-(4-chloroanilino)-1-(4-chlorophenyl)-5-oxo-2H-pyrrole-2-carboxylate?
ethyl 4-(4-chloroanilino)-1-(4-chlorophenyl)-5-oxo-2H-pyrrole-2-carboxylate has a molecular weight of 391.25 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-chloroanilino)-1-(4-chlorophenyl)-5-oxo-2H-pyrrole-2-carboxylate is sourced from PubChem (CID 11552885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).