N-(2-chloro-6-methylphenyl)-2-(3-formylindol-1-yl)acetamide

C18H15ClN2O2 — CID 46858687

IUPACN-(2-chloro-6-methylphenyl)-2-(3-formylindol-1-yl)acetamide
SMILESCc1cccc(Cl)c1NC(=O)Cn1cc(C=O)c2ccccc21
InChIInChI=1S/C18H15ClN2O2/c1-12-5-4-7-15(19)18(12)20-17(23)10-21-9-13(11-22)14-6-2-3-8-16(14)21/h2-9,11H,10H2,1H3,(H,20,23)
InChIKeyPZWMAOYVGJWOTL-UHFFFAOYSA-N
MW326.78 g/mol
LogP4.05
Rot. Bonds4

About N-(2-chloro-6-methylphenyl)-2-(3-formylindol-1-yl)acetamide

N-(2-chloro-6-methylphenyl)-2-(3-formylindol-1-yl)acetamide (PubChem CID 46858687) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-2-(3-formylindol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-2-(3-formylindol-1-yl)acetamide
PubChem CID46858687
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC NameN-(2-chloro-6-methylphenyl)-2-(3-formylindol-1-yl)acetamide
SMILESCc1cccc(Cl)c1NC(=O)Cn1cc(C=O)c2ccccc21
InChIInChI=1S/C18H15ClN2O2/c1-12-5-4-7-15(19)18(12)20-17(23)10-21-9-13(11-22)14-6-2-3-8-16(14)21/h2-9,11H,10H2,1H3,(H,20,23)
InChIKeyPZWMAOYVGJWOTL-UHFFFAOYSA-N
XLogP4.05
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-2-(3-formylindol-1-yl)acetamide?
The IUPAC name of N-(2-chloro-6-methylphenyl)-2-(3-formylindol-1-yl)acetamide (CID 46858687) is N-(2-chloro-6-methylphenyl)-2-(3-formylindol-1-yl)acetamide.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-2-(3-formylindol-1-yl)acetamide?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-2-(3-formylindol-1-yl)acetamide is Cc1cccc(Cl)c1NC(=O)Cn1cc(C=O)c2ccccc21.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-2-(3-formylindol-1-yl)acetamide?
The InChIKey is PZWMAOYVGJWOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c1-12-5-4-7-15(19)18(12)20-17(23)10-21-9-13(11-22)14-6-2-3-8-16(14)21/h2-9,11H,10H2,1H3,(H,20,23).
What are the key properties of N-(2-chloro-6-methylphenyl)-2-(3-formylindol-1-yl)acetamide?
N-(2-chloro-6-methylphenyl)-2-(3-formylindol-1-yl)acetamide has a molecular weight of 326.78 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)-2-(3-formylindol-1-yl)acetamide is sourced from PubChem (CID 46858687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).