[5-amino-4-(3,4-dichlorobenzoyl)-3-(2,4-dichlorophenyl)-1H-pyrrol-2-yl]-phenylmethanone

C24H14Cl4N2O2 — CID 53299922

IUPAC[5-amino-4-(3,4-dichlorobenzoyl)-3-(2,4-dichlorophenyl)-1H-pyrrol-2-yl]-phenylmethanone
SMILESNc1[nH]c(C(=O)c2ccccc2)c(-c2ccc(Cl)cc2Cl)c1C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C24H14Cl4N2O2/c25-14-7-8-15(17(27)11-14)19-20(22(31)13-6-9-16(26)18(28)10-13)24(29)30-21(19)23(32)12-4-2-1-3-5-12/h1-11,30H,29H2
InChIKeyXCCLMIZFURXSEO-UHFFFAOYSA-N
MW504.20 g/mol
LogP7.34
Rot. Bonds5

About [5-amino-4-(3,4-dichlorobenzoyl)-3-(2,4-dichlorophenyl)-1H-pyrrol-2-yl]-phenylmethanone

[5-amino-4-(3,4-dichlorobenzoyl)-3-(2,4-dichlorophenyl)-1H-pyrrol-2-yl]-phenylmethanone (PubChem CID 53299922) has the molecular formula C24H14Cl4N2O2 and a molecular weight of 504.20 g/mol. Its IUPAC name is [5-amino-4-(3,4-dichlorobenzoyl)-3-(2,4-dichlorophenyl)-1H-pyrrol-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[5-amino-4-(3,4-dichlorobenzoyl)-3-(2,4-dichlorophenyl)-1H-pyrrol-2-yl]-phenylmethanone
PubChem CID53299922
Molecular FormulaC24H14Cl4N2O2
Molecular Weight504.20 g/mol
Exact Mass501.98
IUPAC Name[5-amino-4-(3,4-dichlorobenzoyl)-3-(2,4-dichlorophenyl)-1H-pyrrol-2-yl]-phenylmethanone
SMILESNc1[nH]c(C(=O)c2ccccc2)c(-c2ccc(Cl)cc2Cl)c1C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C24H14Cl4N2O2/c25-14-7-8-15(17(27)11-14)19-20(22(31)13-6-9-16(26)18(28)10-13)24(29)30-21(19)23(32)12-4-2-1-3-5-12/h1-11,30H,29H2
InChIKeyXCCLMIZFURXSEO-UHFFFAOYSA-N
XLogP7.34
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.20
LogP ≤ 57.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [5-amino-4-(3,4-dichlorobenzoyl)-3-(2,4-dichlorophenyl)-1H-pyrrol-2-yl]-phenylmethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-amino-4-(3,4-dichlorobenzoyl)-3-(2,4-dichlorophenyl)-1H-pyrrol-2-yl]-phenylmethanone?
The IUPAC name of [5-amino-4-(3,4-dichlorobenzoyl)-3-(2,4-dichlorophenyl)-1H-pyrrol-2-yl]-phenylmethanone (CID 53299922) is [5-amino-4-(3,4-dichlorobenzoyl)-3-(2,4-dichlorophenyl)-1H-pyrrol-2-yl]-phenylmethanone.
What is the SMILES notation for [5-amino-4-(3,4-dichlorobenzoyl)-3-(2,4-dichlorophenyl)-1H-pyrrol-2-yl]-phenylmethanone?
The canonical SMILES for [5-amino-4-(3,4-dichlorobenzoyl)-3-(2,4-dichlorophenyl)-1H-pyrrol-2-yl]-phenylmethanone is Nc1[nH]c(C(=O)c2ccccc2)c(-c2ccc(Cl)cc2Cl)c1C(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of [5-amino-4-(3,4-dichlorobenzoyl)-3-(2,4-dichlorophenyl)-1H-pyrrol-2-yl]-phenylmethanone?
The InChIKey is XCCLMIZFURXSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14Cl4N2O2/c25-14-7-8-15(17(27)11-14)19-20(22(31)13-6-9-16(26)18(28)10-13)24(29)30-21(19)23(32)12-4-2-1-3-5-12/h1-11,30H,29H2.
What are the key properties of [5-amino-4-(3,4-dichlorobenzoyl)-3-(2,4-dichlorophenyl)-1H-pyrrol-2-yl]-phenylmethanone?
[5-amino-4-(3,4-dichlorobenzoyl)-3-(2,4-dichlorophenyl)-1H-pyrrol-2-yl]-phenylmethanone has a molecular weight of 504.20 g/mol, XLogP of 7.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-4-(3,4-dichlorobenzoyl)-3-(2,4-dichlorophenyl)-1H-pyrrol-2-yl]-phenylmethanone is sourced from PubChem (CID 53299922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).