2-chloro-N-(4-chlorophenyl)-N-(1H-indol-3-yl)acetamide

C16H12Cl2N2O — CID 818737

IUPAC2-chloro-N-(4-chlorophenyl)-N-(1H-indol-3-yl)acetamide
SMILESO=C(CCl)N(c1ccc(Cl)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C16H12Cl2N2O/c17-9-16(21)20(12-7-5-11(18)6-8-12)15-10-19-14-4-2-1-3-13(14)15/h1-8,10,19H,9H2
InChIKeyALZOOYPQGWRTKB-UHFFFAOYSA-N
MW319.19 g/mol
LogP4.72
Rot. Bonds3

About 2-chloro-N-(4-chlorophenyl)-N-(1H-indol-3-yl)acetamide

2-chloro-N-(4-chlorophenyl)-N-(1H-indol-3-yl)acetamide (PubChem CID 818737) has the molecular formula C16H12Cl2N2O and a molecular weight of 319.19 g/mol. Its IUPAC name is 2-chloro-N-(4-chlorophenyl)-N-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(4-chlorophenyl)-N-(1H-indol-3-yl)acetamide
PubChem CID818737
Molecular FormulaC16H12Cl2N2O
Molecular Weight319.19 g/mol
Exact Mass318.03
IUPAC Name2-chloro-N-(4-chlorophenyl)-N-(1H-indol-3-yl)acetamide
SMILESO=C(CCl)N(c1ccc(Cl)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C16H12Cl2N2O/c17-9-16(21)20(12-7-5-11(18)6-8-12)15-10-19-14-4-2-1-3-13(14)15/h1-8,10,19H,9H2
InChIKeyALZOOYPQGWRTKB-UHFFFAOYSA-N
XLogP4.72
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-chlorophenyl)-N-(1H-indol-3-yl)acetamide?
The IUPAC name of 2-chloro-N-(4-chlorophenyl)-N-(1H-indol-3-yl)acetamide (CID 818737) is 2-chloro-N-(4-chlorophenyl)-N-(1H-indol-3-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(4-chlorophenyl)-N-(1H-indol-3-yl)acetamide?
The canonical SMILES for 2-chloro-N-(4-chlorophenyl)-N-(1H-indol-3-yl)acetamide is O=C(CCl)N(c1ccc(Cl)cc1)c1c[nH]c2ccccc12.
What is the InChIKey of 2-chloro-N-(4-chlorophenyl)-N-(1H-indol-3-yl)acetamide?
The InChIKey is ALZOOYPQGWRTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O/c17-9-16(21)20(12-7-5-11(18)6-8-12)15-10-19-14-4-2-1-3-13(14)15/h1-8,10,19H,9H2.
What are the key properties of 2-chloro-N-(4-chlorophenyl)-N-(1H-indol-3-yl)acetamide?
2-chloro-N-(4-chlorophenyl)-N-(1H-indol-3-yl)acetamide has a molecular weight of 319.19 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-chlorophenyl)-N-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 818737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).