2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetyl chloride

C17H11Cl2NO2 — CID 10980477

IUPAC2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetyl chloride
SMILESO=C(Cl)C(=O)c1cn(Cc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C17H11Cl2NO2/c18-12-7-5-11(6-8-12)9-20-10-14(16(21)17(19)22)13-3-1-2-4-15(13)20/h1-8,10H,9H2
InChIKeyUSNYBYHFYRBYOM-UHFFFAOYSA-N
MW332.19 g/mol
LogP4.29
Rot. Bonds4

About 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetyl chloride

2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetyl chloride (PubChem CID 10980477) has the molecular formula C17H11Cl2NO2 and a molecular weight of 332.19 g/mol. Its IUPAC name is 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetyl chloride.

Molecular Properties

Compound Name2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetyl chloride
PubChem CID10980477
Molecular FormulaC17H11Cl2NO2
Molecular Weight332.19 g/mol
Exact Mass331.02
IUPAC Name2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetyl chloride
SMILESO=C(Cl)C(=O)c1cn(Cc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C17H11Cl2NO2/c18-12-7-5-11(6-8-12)9-20-10-14(16(21)17(19)22)13-3-1-2-4-15(13)20/h1-8,10H,9H2
InChIKeyUSNYBYHFYRBYOM-UHFFFAOYSA-N
XLogP4.29
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetyl chloride 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

2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N,N-diethyl-2-oxoacetamide
CID 5302284
N-(2-chlorophenyl)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetamide
CID 5303659
1-(4-benzylpiperazin-1-yl)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]ethane-1,2-dione
CID 110173159
[1-[(4-chlorophenyl)methyl]indol-3-yl]-(furan-2-yl)methanone
CID 955150
4-[[2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetyl]amino]benzamide
CID 10181188
2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(4-methoxyphenyl)-2-oxoacetamide
CID 5147141
1-(4-benzylpiperidin-1-yl)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]ethane-1,2-dione
CID 110173436
1-(4-benzhydrylpiperazin-1-yl)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]ethane-1,2-dione
CID 110173158
N-(1,2-benzoxazol-3-yl)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetamide
CID 23397151
1-[(4-chlorophenyl)methyl]-N-[(E)-(4-chlorophenyl)methylideneamino]indole-3-carboxamide
CID 156653432
1-[(4-chlorophenyl)methyl]-N-[(E)-2-methylpropylideneamino]indole-3-carboxamide
CID 156653428
1-[(4-chlorophenyl)methyl]indole-3-carbaldehyde
CID 872445

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetyl chloride?
The IUPAC name of 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetyl chloride (CID 10980477) is 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetyl chloride.
What is the SMILES notation for 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetyl chloride?
The canonical SMILES for 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetyl chloride is O=C(Cl)C(=O)c1cn(Cc2ccc(Cl)cc2)c2ccccc12.
What is the InChIKey of 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetyl chloride?
The InChIKey is USNYBYHFYRBYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2NO2/c18-12-7-5-11(6-8-12)9-20-10-14(16(21)17(19)22)13-3-1-2-4-15(13)20/h1-8,10H,9H2.
What are the key properties of 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetyl chloride?
2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetyl chloride has a molecular weight of 332.19 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetyl chloride is sourced from PubChem (CID 10980477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).