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

C19H17ClN2O2 — CID 900031

IUPACN-(1-acetylindol-3-yl)-2-chloro-N-(4-methylphenyl)acetamide
SMILESCC(=O)n1cc(N(C(=O)CCl)c2ccc(C)cc2)c2ccccc21
InChIInChI=1S/C19H17ClN2O2/c1-13-7-9-15(10-8-13)22(19(24)11-20)18-12-21(14(2)23)17-6-4-3-5-16(17)18/h3-10,12H,11H2,1-2H3
InChIKeyNGYOGKGATBXFQL-UHFFFAOYSA-N
MW340.81 g/mol
LogP4.51
Rot. Bonds3

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

N-(1-acetylindol-3-yl)-2-chloro-N-(4-methylphenyl)acetamide (PubChem CID 900031) has the molecular formula C19H17ClN2O2 and a molecular weight of 340.81 g/mol. Its IUPAC name is N-(1-acetylindol-3-yl)-2-chloro-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(1-acetylindol-3-yl)-2-chloro-N-(4-methylphenyl)acetamide
PubChem CID900031
Molecular FormulaC19H17ClN2O2
Molecular Weight340.81 g/mol
Exact Mass340.10
IUPAC NameN-(1-acetylindol-3-yl)-2-chloro-N-(4-methylphenyl)acetamide
SMILESCC(=O)n1cc(N(C(=O)CCl)c2ccc(C)cc2)c2ccccc21
InChIInChI=1S/C19H17ClN2O2/c1-13-7-9-15(10-8-13)22(19(24)11-20)18-12-21(14(2)23)17-6-4-3-5-16(17)18/h3-10,12H,11H2,1-2H3
InChIKeyNGYOGKGATBXFQL-UHFFFAOYSA-N
XLogP4.51
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 54.51
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-methylphenyl)acetamide?
The IUPAC name of N-(1-acetylindol-3-yl)-2-chloro-N-(4-methylphenyl)acetamide (CID 900031) is N-(1-acetylindol-3-yl)-2-chloro-N-(4-methylphenyl)acetamide.
What is the SMILES notation for N-(1-acetylindol-3-yl)-2-chloro-N-(4-methylphenyl)acetamide?
The canonical SMILES for N-(1-acetylindol-3-yl)-2-chloro-N-(4-methylphenyl)acetamide is CC(=O)n1cc(N(C(=O)CCl)c2ccc(C)cc2)c2ccccc21.
What is the InChIKey of N-(1-acetylindol-3-yl)-2-chloro-N-(4-methylphenyl)acetamide?
The InChIKey is NGYOGKGATBXFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2/c1-13-7-9-15(10-8-13)22(19(24)11-20)18-12-21(14(2)23)17-6-4-3-5-16(17)18/h3-10,12H,11H2,1-2H3.
What are the key properties of N-(1-acetylindol-3-yl)-2-chloro-N-(4-methylphenyl)acetamide?
N-(1-acetylindol-3-yl)-2-chloro-N-(4-methylphenyl)acetamide has a molecular weight of 340.81 g/mol, XLogP of 4.51, 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-methylphenyl)acetamide is sourced from PubChem (CID 900031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).