ethyl 4-(4-chloroanilino)-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate

C20H19ClN2O3 — CID 3540940

IUPACethyl 4-(4-chloroanilino)-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate
SMILESCCOC(=O)C1(C)C=C(Nc2ccc(Cl)cc2)C(=O)N1c1ccccc1
InChIInChI=1S/C20H19ClN2O3/c1-3-26-19(25)20(2)13-17(22-15-11-9-14(21)10-12-15)18(24)23(20)16-7-5-4-6-8-16/h4-13,22H,3H2,1-2H3
InChIKeyWSBWOSUWLYJCPY-UHFFFAOYSA-N
MW370.84 g/mol
LogP4.00
Rot. Bonds5

About ethyl 4-(4-chloroanilino)-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate

ethyl 4-(4-chloroanilino)-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate (PubChem CID 3540940) has the molecular formula C20H19ClN2O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is ethyl 4-(4-chloroanilino)-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-chloroanilino)-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate
PubChem CID3540940
Molecular FormulaC20H19ClN2O3
Molecular Weight370.84 g/mol
Exact Mass370.11
IUPAC Nameethyl 4-(4-chloroanilino)-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate
SMILESCCOC(=O)C1(C)C=C(Nc2ccc(Cl)cc2)C(=O)N1c1ccccc1
InChIInChI=1S/C20H19ClN2O3/c1-3-26-19(25)20(2)13-17(22-15-11-9-14(21)10-12-15)18(24)23(20)16-7-5-4-6-8-16/h4-13,22H,3H2,1-2H3
InChIKeyWSBWOSUWLYJCPY-UHFFFAOYSA-N
XLogP4.00
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 4-(4-chloroanilino)-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-(4-bromoanilino)-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate
CID 3327045
2-carboxy-4-[[(5R)-5-ethoxycarbonyl-5-methyl-2-oxo-1-phenylpyrrol-3-yl]amino]phenolate
CID 54715393
ethyl 4-(2-ethoxycarbonylanilino)-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate
CID 2889021
ethyl (2R)-4-hydroxy-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate
CID 98459518
ethyl 4-(4-chloroanilino)-1-(4-chlorophenyl)-5-oxo-2H-pyrrole-2-carboxylate
CID 11552885
ethyl 3-bromo-4-hydroxy-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate
CID 2891433
ethyl 5-amino-3-(4-chloroanilino)-1-phenylpyrazole-4-carboxylate
CID 15394812
ethyl (2S,3E)-3-[(2-chlorophenyl)hydrazinylidene]-2-methyl-4,5-dioxo-1-phenylpyrrolidine-2-carboxylate
CID 7410040
ethyl (2S,3E)-3-[(4-fluorophenyl)hydrazinylidene]-2-methyl-4,5-dioxo-1-phenylpyrrolidine-2-carboxylate
CID 7411921
ethyl 2-(4-chloroanilino)benzoate
CID 82535773
ethyl 4-(4-chloroanilino)-2-oxo-6-phenylcyclohex-3-ene-1-carboxylate
CID 42600183
ethyl 4-anilino-3-[2-[2-(4-methoxybenzoyl)hydrazinyl]-2-oxoacetyl]-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate
CID 51138450

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-chloroanilino)-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate?
The IUPAC name of ethyl 4-(4-chloroanilino)-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate (CID 3540940) is ethyl 4-(4-chloroanilino)-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate.
What is the SMILES notation for ethyl 4-(4-chloroanilino)-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate?
The canonical SMILES for ethyl 4-(4-chloroanilino)-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate is CCOC(=O)C1(C)C=C(Nc2ccc(Cl)cc2)C(=O)N1c1ccccc1.
What is the InChIKey of ethyl 4-(4-chloroanilino)-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate?
The InChIKey is WSBWOSUWLYJCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3/c1-3-26-19(25)20(2)13-17(22-15-11-9-14(21)10-12-15)18(24)23(20)16-7-5-4-6-8-16/h4-13,22H,3H2,1-2H3.
What are the key properties of ethyl 4-(4-chloroanilino)-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate?
ethyl 4-(4-chloroanilino)-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate has a molecular weight of 370.84 g/mol, XLogP of 4.00, 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)-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate is sourced from PubChem (CID 3540940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).