N-[(4-chlorophenyl)methyl]-2-(1-methylindol-3-yl)-2-oxoacetamide

C18H15ClN2O2 — CID 10758551

IUPACN-[(4-chlorophenyl)methyl]-2-(1-methylindol-3-yl)-2-oxoacetamide
SMILESCn1cc(C(=O)C(=O)NCc2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C18H15ClN2O2/c1-21-11-15(14-4-2-3-5-16(14)21)17(22)18(23)20-10-12-6-8-13(19)9-7-12/h2-9,11H,10H2,1H3,(H,20,23)
InChIKeyYHTGOMKCCMVYNW-UHFFFAOYSA-N
MW326.78 g/mol
LogP3.33
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-2-(1-methylindol-3-yl)-2-oxoacetamide

N-[(4-chlorophenyl)methyl]-2-(1-methylindol-3-yl)-2-oxoacetamide (PubChem CID 10758551) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(1-methylindol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(1-methylindol-3-yl)-2-oxoacetamide
PubChem CID10758551
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(1-methylindol-3-yl)-2-oxoacetamide
SMILESCn1cc(C(=O)C(=O)NCc2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C18H15ClN2O2/c1-21-11-15(14-4-2-3-5-16(14)21)17(22)18(23)20-10-12-6-8-13(19)9-7-12/h2-9,11H,10H2,1H3,(H,20,23)
InChIKeyYHTGOMKCCMVYNW-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(1-methylindol-3-yl)-2-oxoacetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(1-methylindol-3-yl)-2-oxoacetamide (CID 10758551) is N-[(4-chlorophenyl)methyl]-2-(1-methylindol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(1-methylindol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(1-methylindol-3-yl)-2-oxoacetamide is Cn1cc(C(=O)C(=O)NCc2ccc(Cl)cc2)c2ccccc21.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(1-methylindol-3-yl)-2-oxoacetamide?
The InChIKey is YHTGOMKCCMVYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c1-21-11-15(14-4-2-3-5-16(14)21)17(22)18(23)20-10-12-6-8-13(19)9-7-12/h2-9,11H,10H2,1H3,(H,20,23).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(1-methylindol-3-yl)-2-oxoacetamide?
N-[(4-chlorophenyl)methyl]-2-(1-methylindol-3-yl)-2-oxoacetamide has a molecular weight of 326.78 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(1-methylindol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 10758551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).