N-(1,3-benzodioxol-5-ylmethyl)-2-(6-chloro-1H-indol-3-yl)-2-oxoacetamide

C18H13ClN2O4 — CID 113208764

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-(6-chloro-1H-indol-3-yl)-2-oxoacetamide
SMILESO=C(NCc1ccc2c(c1)OCO2)C(=O)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C18H13ClN2O4/c19-11-2-3-12-13(8-20-14(12)6-11)17(22)18(23)21-7-10-1-4-15-16(5-10)25-9-24-15/h1-6,8,20H,7,9H2,(H,21,23)
InChIKeyZLPLQKYPXXTJGY-UHFFFAOYSA-N
MW356.77 g/mol
LogP3.05
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylmethyl)-2-(6-chloro-1H-indol-3-yl)-2-oxoacetamide

N-(1,3-benzodioxol-5-ylmethyl)-2-(6-chloro-1H-indol-3-yl)-2-oxoacetamide (PubChem CID 113208764) has the molecular formula C18H13ClN2O4 and a molecular weight of 356.77 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-(6-chloro-1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-(6-chloro-1H-indol-3-yl)-2-oxoacetamide
PubChem CID113208764
Molecular FormulaC18H13ClN2O4
Molecular Weight356.77 g/mol
Exact Mass356.06
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-(6-chloro-1H-indol-3-yl)-2-oxoacetamide
SMILESO=C(NCc1ccc2c(c1)OCO2)C(=O)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C18H13ClN2O4/c19-11-2-3-12-13(8-20-14(12)6-11)17(22)18(23)21-7-10-1-4-15-16(5-10)25-9-24-15/h1-6,8,20H,7,9H2,(H,21,23)
InChIKeyZLPLQKYPXXTJGY-UHFFFAOYSA-N
XLogP3.05
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.77
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(1,3-benzodioxol-5-ylmethyl)-2-(6-chloro-1H-indol-3-yl)-2-oxoacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide
CID 113208047
N'-(1,3-benzodioxol-5-ylmethyl)-N-[(4-chlorophenyl)methyl]oxamide
CID 7769074
2-(6-chloro-1H-indol-3-yl)-2-oxo-N-(pyridin-3-ylmethyl)acetamide
CID 113208767
N-(1,3-benzodioxol-5-ylmethyl)-2,4-dichlorobenzamide
CID 673796
N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-chloro-2-fluorophenyl)oxamide
CID 44999501
2-(5-chloro-1H-indol-3-yl)-2-oxo-N-(pyridin-4-ylmethyl)acetamide
CID 113208231
N-(1,3-benzodioxol-5-ylmethyl)-2-(5-fluoro-1H-indol-3-yl)acetamide
CID 112513932
N-(1,3-benzodioxol-5-ylmethyl)-N'-(5-chloro-2-methylphenyl)oxamide
CID 7585438
2-(6-chloro-1H-indol-3-yl)-2-oxo-N-(3-phenylpropyl)acetamide
CID 113208798
N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-3-methyl-1H-indole-2-carboxamide
CID 113204704
4-N-(1,3-benzodioxol-5-ylmethyl)-6-N-[(4-chlorophenyl)methyl]pyrimidine-4,6-dicarboxamide
CID 10224224
N'-(1,3-benzodioxol-5-ylmethyl)oxamide
CID 3122126

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(6-chloro-1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(6-chloro-1H-indol-3-yl)-2-oxoacetamide (CID 113208764) is N-(1,3-benzodioxol-5-ylmethyl)-2-(6-chloro-1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-(6-chloro-1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-(6-chloro-1H-indol-3-yl)-2-oxoacetamide is O=C(NCc1ccc2c(c1)OCO2)C(=O)c1c[nH]c2cc(Cl)ccc12.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-(6-chloro-1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is ZLPLQKYPXXTJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O4/c19-11-2-3-12-13(8-20-14(12)6-11)17(22)18(23)21-7-10-1-4-15-16(5-10)25-9-24-15/h1-6,8,20H,7,9H2,(H,21,23).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-(6-chloro-1H-indol-3-yl)-2-oxoacetamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-(6-chloro-1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 356.77 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-(6-chloro-1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 113208764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).