2,2,2-trichloro-1-[4-(2-phenylacetyl)-1H-pyrrol-2-yl]ethanone

C14H10Cl3NO2 — CID 2763608

IUPAC2,2,2-trichloro-1-[4-(2-phenylacetyl)-1H-pyrrol-2-yl]ethanone
SMILESO=C(Cc1ccccc1)c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1
InChIInChI=1S/C14H10Cl3NO2/c15-14(16,17)13(20)11-7-10(8-18-11)12(19)6-9-4-2-1-3-5-9/h1-5,7-8,18H,6H2
InChIKeyJJTYUDUQOXRRFV-UHFFFAOYSA-N
MW330.60 g/mol
LogP3.99
Rot. Bonds4

About 2,2,2-trichloro-1-[4-(2-phenylacetyl)-1H-pyrrol-2-yl]ethanone

2,2,2-trichloro-1-[4-(2-phenylacetyl)-1H-pyrrol-2-yl]ethanone (PubChem CID 2763608) has the molecular formula C14H10Cl3NO2 and a molecular weight of 330.60 g/mol. Its IUPAC name is 2,2,2-trichloro-1-[4-(2-phenylacetyl)-1H-pyrrol-2-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trichloro-1-[4-(2-phenylacetyl)-1H-pyrrol-2-yl]ethanone
PubChem CID2763608
Molecular FormulaC14H10Cl3NO2
Molecular Weight330.60 g/mol
Exact Mass328.98
IUPAC Name2,2,2-trichloro-1-[4-(2-phenylacetyl)-1H-pyrrol-2-yl]ethanone
SMILESO=C(Cc1ccccc1)c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1
InChIInChI=1S/C14H10Cl3NO2/c15-14(16,17)13(20)11-7-10(8-18-11)12(19)6-9-4-2-1-3-5-9/h1-5,7-8,18H,6H2
InChIKeyJJTYUDUQOXRRFV-UHFFFAOYSA-N
XLogP3.99
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.60
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2,2,2-trichloro-1-[4-(2-phenylacetyl)-1H-pyrrol-2-yl]ethanone 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

Phenyl(1H-pyrrol-2-YL)methanone
CID 24370
2-chloro-1-(1H-indol-3-yl)propan-1-one
CID 4868392
Indole-4,7-dione
CID 152300
3-Chloroacetylindole
CID 152961
2-Chloro-1-(1H-indol-3-yl)-2-phenylethan-1-one
CID 3688662
4-acetyl-N-[3-(trifluoromethyl)benzyl]-1H-pyrrole-2-carboxamide
CID 1489220
4-acetyl-N-benzyl-1H-pyrrole-2-carboxamide
CID 1489239
(2-Amino-5-chlorophenyl)(1H-pyrrol-2-yl)methanone
CID 284707
(2E)-1-phenyl-3-(1H-pyrrol-2-yl)prop-2-en-1-one
CID 5929854
3-Indoleglyoxylyl chloride
CID 89952
1,5,6,7-Tetrahydro-4H-indol-4-one
CID 280229
N-methyl-4-propanoyl-1H-pyrrole-2-carboxamide
CID 1481809

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-1-[4-(2-phenylacetyl)-1H-pyrrol-2-yl]ethanone?
The IUPAC name of 2,2,2-trichloro-1-[4-(2-phenylacetyl)-1H-pyrrol-2-yl]ethanone (CID 2763608) is 2,2,2-trichloro-1-[4-(2-phenylacetyl)-1H-pyrrol-2-yl]ethanone.
What is the SMILES notation for 2,2,2-trichloro-1-[4-(2-phenylacetyl)-1H-pyrrol-2-yl]ethanone?
The canonical SMILES for 2,2,2-trichloro-1-[4-(2-phenylacetyl)-1H-pyrrol-2-yl]ethanone is O=C(Cc1ccccc1)c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1.
What is the InChIKey of 2,2,2-trichloro-1-[4-(2-phenylacetyl)-1H-pyrrol-2-yl]ethanone?
The InChIKey is JJTYUDUQOXRRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl3NO2/c15-14(16,17)13(20)11-7-10(8-18-11)12(19)6-9-4-2-1-3-5-9/h1-5,7-8,18H,6H2.
What are the key properties of 2,2,2-trichloro-1-[4-(2-phenylacetyl)-1H-pyrrol-2-yl]ethanone?
2,2,2-trichloro-1-[4-(2-phenylacetyl)-1H-pyrrol-2-yl]ethanone has a molecular weight of 330.60 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-1-[4-(2-phenylacetyl)-1H-pyrrol-2-yl]ethanone is sourced from PubChem (CID 2763608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).