N-benzyl-2-(5-chloro-1H-indol-3-yl)-2-oxoacetamide

C17H13ClN2O2 — CID 10591254

IUPACN-benzyl-2-(5-chloro-1H-indol-3-yl)-2-oxoacetamide
SMILESO=C(NCc1ccccc1)C(=O)c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C17H13ClN2O2/c18-12-6-7-15-13(8-12)14(10-19-15)16(21)17(22)20-9-11-4-2-1-3-5-11/h1-8,10,19H,9H2,(H,20,22)
InChIKeyBDGWCPYUERFMMY-UHFFFAOYSA-N
MW312.76 g/mol
LogP3.32
Rot. Bonds4

About N-benzyl-2-(5-chloro-1H-indol-3-yl)-2-oxoacetamide

N-benzyl-2-(5-chloro-1H-indol-3-yl)-2-oxoacetamide (PubChem CID 10591254) has the molecular formula C17H13ClN2O2 and a molecular weight of 312.76 g/mol. Its IUPAC name is N-benzyl-2-(5-chloro-1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-benzyl-2-(5-chloro-1H-indol-3-yl)-2-oxoacetamide
PubChem CID10591254
Molecular FormulaC17H13ClN2O2
Molecular Weight312.76 g/mol
Exact Mass312.07
IUPAC NameN-benzyl-2-(5-chloro-1H-indol-3-yl)-2-oxoacetamide
SMILESO=C(NCc1ccccc1)C(=O)c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C17H13ClN2O2/c18-12-6-7-15-13(8-12)14(10-19-15)16(21)17(22)20-9-11-4-2-1-3-5-11/h1-8,10,19H,9H2,(H,20,22)
InChIKeyBDGWCPYUERFMMY-UHFFFAOYSA-N
XLogP3.32
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-benzyl-2-(5-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

Indibulin
CID 2929
Jwh 203
CID 44397500
Jnj-7777120
CID 4908365
Tryptamide
CID 65768
Benzotript
CID 2060890
1H-indole-3-carboxamide
CID 2192542
2-(4-chlorophenyl)-1-(1-pentyl-1H-indol-3-yl)ethanone
CID 44397532
Indole, 3-(dimethylaminoacetyl)-
CID 34863
1-(1H-Indol-3-yl)-2-(1-piperidinyl)ethanone
CID 34864
Org27569
CID 44828492
2-(1H-indol-3-yl)-2-oxo-N-(2-phenylethyl)acetamide
CID 2176767
Indole, 3-((diethylamino)acetyl)-
CID 56375

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(5-chloro-1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N-benzyl-2-(5-chloro-1H-indol-3-yl)-2-oxoacetamide (CID 10591254) is N-benzyl-2-(5-chloro-1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-benzyl-2-(5-chloro-1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-benzyl-2-(5-chloro-1H-indol-3-yl)-2-oxoacetamide is O=C(NCc1ccccc1)C(=O)c1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of N-benzyl-2-(5-chloro-1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is BDGWCPYUERFMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O2/c18-12-6-7-15-13(8-12)14(10-19-15)16(21)17(22)20-9-11-4-2-1-3-5-11/h1-8,10,19H,9H2,(H,20,22).
What are the key properties of N-benzyl-2-(5-chloro-1H-indol-3-yl)-2-oxoacetamide?
N-benzyl-2-(5-chloro-1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 312.76 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(5-chloro-1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 10591254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).