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

C18H14Cl2N2O2 — CID 2017227

IUPACN-(1-acetylindol-3-yl)-2-chloro-N-(4-chlorophenyl)acetamide
SMILESCC(=O)n1cc(N(C(=O)CCl)c2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C18H14Cl2N2O2/c1-12(23)21-11-17(15-4-2-3-5-16(15)21)22(18(24)10-19)14-8-6-13(20)7-9-14/h2-9,11H,10H2,1H3
InChIKeyQWJCBDOFCRYVGC-UHFFFAOYSA-N
MW361.23 g/mol
LogP4.86
Rot. Bonds3

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

N-(1-acetylindol-3-yl)-2-chloro-N-(4-chlorophenyl)acetamide (PubChem CID 2017227) has the molecular formula C18H14Cl2N2O2 and a molecular weight of 361.23 g/mol. Its IUPAC name is N-(1-acetylindol-3-yl)-2-chloro-N-(4-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-(1-acetylindol-3-yl)-2-chloro-N-(4-chlorophenyl)acetamide
PubChem CID2017227
Molecular FormulaC18H14Cl2N2O2
Molecular Weight361.23 g/mol
Exact Mass360.04
IUPAC NameN-(1-acetylindol-3-yl)-2-chloro-N-(4-chlorophenyl)acetamide
SMILESCC(=O)n1cc(N(C(=O)CCl)c2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C18H14Cl2N2O2/c1-12(23)21-11-17(15-4-2-3-5-16(15)21)22(18(24)10-19)14-8-6-13(20)7-9-14/h2-9,11H,10H2,1H3
InChIKeyQWJCBDOFCRYVGC-UHFFFAOYSA-N
XLogP4.86
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 N-(1-acetylindol-3-yl)-2-chloro-N-(4-chlorophenyl)acetamide?
The IUPAC name of N-(1-acetylindol-3-yl)-2-chloro-N-(4-chlorophenyl)acetamide (CID 2017227) is N-(1-acetylindol-3-yl)-2-chloro-N-(4-chlorophenyl)acetamide.
What is the SMILES notation for N-(1-acetylindol-3-yl)-2-chloro-N-(4-chlorophenyl)acetamide?
The canonical SMILES for N-(1-acetylindol-3-yl)-2-chloro-N-(4-chlorophenyl)acetamide is CC(=O)n1cc(N(C(=O)CCl)c2ccc(Cl)cc2)c2ccccc21.
What is the InChIKey of N-(1-acetylindol-3-yl)-2-chloro-N-(4-chlorophenyl)acetamide?
The InChIKey is QWJCBDOFCRYVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O2/c1-12(23)21-11-17(15-4-2-3-5-16(15)21)22(18(24)10-19)14-8-6-13(20)7-9-14/h2-9,11H,10H2,1H3.
What are the key properties of N-(1-acetylindol-3-yl)-2-chloro-N-(4-chlorophenyl)acetamide?
N-(1-acetylindol-3-yl)-2-chloro-N-(4-chlorophenyl)acetamide has a molecular weight of 361.23 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylindol-3-yl)-2-chloro-N-(4-chlorophenyl)acetamide is sourced from PubChem (CID 2017227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).