ethyl 4-(4-bromoanilino)-1-(4-bromophenyl)-5-oxo-2H-pyrrole-3-carboxylate

C19H16Br2N2O3 — CID 70683955

IUPACethyl 4-(4-bromoanilino)-1-(4-bromophenyl)-5-oxo-2H-pyrrole-3-carboxylate
SMILESCCOC(=O)C1=C(Nc2ccc(Br)cc2)C(=O)N(c2ccc(Br)cc2)C1
InChIInChI=1S/C19H16Br2N2O3/c1-2-26-19(25)16-11-23(15-9-5-13(21)6-10-15)18(24)17(16)22-14-7-3-12(20)4-8-14/h3-10,22H,2,11H2,1H3
InChIKeyRZDKWSKABPGJEG-UHFFFAOYSA-N
MW480.16 g/mol
LogP4.49
Rot. Bonds5

About ethyl 4-(4-bromoanilino)-1-(4-bromophenyl)-5-oxo-2H-pyrrole-3-carboxylate

ethyl 4-(4-bromoanilino)-1-(4-bromophenyl)-5-oxo-2H-pyrrole-3-carboxylate (PubChem CID 70683955) has the molecular formula C19H16Br2N2O3 and a molecular weight of 480.16 g/mol. Its IUPAC name is ethyl 4-(4-bromoanilino)-1-(4-bromophenyl)-5-oxo-2H-pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-bromoanilino)-1-(4-bromophenyl)-5-oxo-2H-pyrrole-3-carboxylate
PubChem CID70683955
Molecular FormulaC19H16Br2N2O3
Molecular Weight480.16 g/mol
Exact Mass477.95
IUPAC Nameethyl 4-(4-bromoanilino)-1-(4-bromophenyl)-5-oxo-2H-pyrrole-3-carboxylate
SMILESCCOC(=O)C1=C(Nc2ccc(Br)cc2)C(=O)N(c2ccc(Br)cc2)C1
InChIInChI=1S/C19H16Br2N2O3/c1-2-26-19(25)16-11-23(15-9-5-13(21)6-10-15)18(24)17(16)22-14-7-3-12(20)4-8-14/h3-10,22H,2,11H2,1H3
InChIKeyRZDKWSKABPGJEG-UHFFFAOYSA-N
XLogP4.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.16
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(4-bromoanilino)-1-(4-bromophenyl)-5-oxo-2-phenyl-2H-pyrrole-3-carboxylate
CID 162663143
ethyl 1-methyl-5-oxo-4-(4-phenylsulfanylanilino)-2H-pyrrole-3-carboxylate
CID 3060103
ethyl 4-(4-bromoanilino)-1,2,6-tris(4-bromophenyl)-3,6-dihydro-2H-pyridine-5-carboxylate
CID 141406180
ethyl 1-[4-[[1-(2-hydroxyethyl)-3-methoxycarbonyl-5-oxo-2H-pyrrol-4-yl]amino]phenyl]-5-methylpyrazole-4-carboxylate
CID 168564663
ethyl 4-[2-(3-ethoxycarbonyl-1-methyl-5-oxo-2H-pyrrol-4-yl)hydrazinyl]-1-methyl-5-oxo-2H-pyrrole-3-carboxylate
CID 39354218
ethyl 4-(4-bromoanilino)-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate
CID 3327045
ethyl 4-[[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]amino]benzoate
CID 2189654
ethyl 3-(4-bromophenyl)triazole-4-carboxylate
CID 71266147
diethyl 2,5-bis(4-methoxyanilino)cyclohexa-1,4-diene-1,4-dicarboxylate
CID 45071499
ethyl 4-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)amino]benzoate
CID 58729035
ethyl 5-chloro-4-[4-(3-oxomorpholin-4-yl)anilino]-3-propan-2-ylthiophene-2-carboxylate
CID 175042976
ethyl 4-[[4-amino-5-(4-bromobenzoyl)-1,3-thiazol-2-yl]amino]benzoate
CID 50761349

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-bromoanilino)-1-(4-bromophenyl)-5-oxo-2H-pyrrole-3-carboxylate?
The IUPAC name of ethyl 4-(4-bromoanilino)-1-(4-bromophenyl)-5-oxo-2H-pyrrole-3-carboxylate (CID 70683955) is ethyl 4-(4-bromoanilino)-1-(4-bromophenyl)-5-oxo-2H-pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 4-(4-bromoanilino)-1-(4-bromophenyl)-5-oxo-2H-pyrrole-3-carboxylate?
The canonical SMILES for ethyl 4-(4-bromoanilino)-1-(4-bromophenyl)-5-oxo-2H-pyrrole-3-carboxylate is CCOC(=O)C1=C(Nc2ccc(Br)cc2)C(=O)N(c2ccc(Br)cc2)C1.
What is the InChIKey of ethyl 4-(4-bromoanilino)-1-(4-bromophenyl)-5-oxo-2H-pyrrole-3-carboxylate?
The InChIKey is RZDKWSKABPGJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Br2N2O3/c1-2-26-19(25)16-11-23(15-9-5-13(21)6-10-15)18(24)17(16)22-14-7-3-12(20)4-8-14/h3-10,22H,2,11H2,1H3.
What are the key properties of ethyl 4-(4-bromoanilino)-1-(4-bromophenyl)-5-oxo-2H-pyrrole-3-carboxylate?
ethyl 4-(4-bromoanilino)-1-(4-bromophenyl)-5-oxo-2H-pyrrole-3-carboxylate has a molecular weight of 480.16 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-bromoanilino)-1-(4-bromophenyl)-5-oxo-2H-pyrrole-3-carboxylate is sourced from PubChem (CID 70683955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).