ethyl 2-amino-4,5-bis(4-chlorophenyl)-1H-pyrrole-3-carboxylate

C19H16Cl2N2O2 — CID 71658480

IUPACethyl 2-amino-4,5-bis(4-chlorophenyl)-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(N)[nH]c(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C19H16Cl2N2O2/c1-2-25-19(24)16-15(11-3-7-13(20)8-4-11)17(23-18(16)22)12-5-9-14(21)10-6-12/h3-10,23H,2,22H2,1H3
InChIKeyFAPNVVCEVILEKS-UHFFFAOYSA-N
MW375.26 g/mol
LogP5.41
Rot. Bonds4

About ethyl 2-amino-4,5-bis(4-chlorophenyl)-1H-pyrrole-3-carboxylate

ethyl 2-amino-4,5-bis(4-chlorophenyl)-1H-pyrrole-3-carboxylate (PubChem CID 71658480) has the molecular formula C19H16Cl2N2O2 and a molecular weight of 375.26 g/mol. Its IUPAC name is ethyl 2-amino-4,5-bis(4-chlorophenyl)-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-4,5-bis(4-chlorophenyl)-1H-pyrrole-3-carboxylate
PubChem CID71658480
Molecular FormulaC19H16Cl2N2O2
Molecular Weight375.26 g/mol
Exact Mass374.06
IUPAC Nameethyl 2-amino-4,5-bis(4-chlorophenyl)-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(N)[nH]c(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C19H16Cl2N2O2/c1-2-25-19(24)16-15(11-3-7-13(20)8-4-11)17(23-18(16)22)12-5-9-14(21)10-6-12/h3-10,23H,2,22H2,1H3
InChIKeyFAPNVVCEVILEKS-UHFFFAOYSA-N
XLogP5.41
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.26
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Substituted indole-3-carboxylate, 28
CID 44157331
Ethyl 2-methyl-4,5-diphenyl-1H-pyrrole-3-carboxylate
CID 253134
2-Substituted indole-3-carboxylate, 27c
CID 42637235
2-Substituted indole-3-carboxylate, 27a
CID 42637527
2-Substituted indole-3-carboxylate, 27b
CID 44157558
ethyl 2-[(2-chlorophenyl)hydrazono]-3,5-dimethyl-2H-pyrrole-4-carboxylate
CID 732205
Ethyl 2-amino-5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate
CID 162649760
Ethyl 2-amino-6-chloro-1h-indole-3-carboxylate
CID 68829777
ethyl 2-(2-acetylhydrazinyl)-5-(4-chlorophenyl)-1H-pyrrole-3-carboxylate
CID 14144343
ethyl 5-(4-chlorophenyl)-2-(2-ethoxycarbonylhydrazinyl)-1H-pyrrole-3-carboxylate
CID 14144356
ethyl 5-(4-chlorophenyl)-2-[2-(2-methylpropanoyl)hydrazinyl]-1H-pyrrole-3-carboxylate
CID 42600212
ethyl 2-(2-butanoylhydrazinyl)-5-(4-chlorophenyl)-1H-pyrrole-3-carboxylate
CID 42600214

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4,5-bis(4-chlorophenyl)-1H-pyrrole-3-carboxylate?
The IUPAC name of ethyl 2-amino-4,5-bis(4-chlorophenyl)-1H-pyrrole-3-carboxylate (CID 71658480) is ethyl 2-amino-4,5-bis(4-chlorophenyl)-1H-pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-4,5-bis(4-chlorophenyl)-1H-pyrrole-3-carboxylate?
The canonical SMILES for ethyl 2-amino-4,5-bis(4-chlorophenyl)-1H-pyrrole-3-carboxylate is CCOC(=O)c1c(N)[nH]c(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1.
What is the InChIKey of ethyl 2-amino-4,5-bis(4-chlorophenyl)-1H-pyrrole-3-carboxylate?
The InChIKey is FAPNVVCEVILEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O2/c1-2-25-19(24)16-15(11-3-7-13(20)8-4-11)17(23-18(16)22)12-5-9-14(21)10-6-12/h3-10,23H,2,22H2,1H3.
What are the key properties of ethyl 2-amino-4,5-bis(4-chlorophenyl)-1H-pyrrole-3-carboxylate?
ethyl 2-amino-4,5-bis(4-chlorophenyl)-1H-pyrrole-3-carboxylate has a molecular weight of 375.26 g/mol, XLogP of 5.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4,5-bis(4-chlorophenyl)-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 71658480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).