N-[(2-chlorophenyl)methyl]-2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide

C20H17ClN4O2 — CID 53032159

IUPACN-[(2-chlorophenyl)methyl]-2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
SMILESCc1nnc(-c2ccc3ccn(CC(=O)NCc4ccccc4Cl)c3c2)o1
InChIInChI=1S/C20H17ClN4O2/c1-13-23-24-20(27-13)15-7-6-14-8-9-25(18(14)10-15)12-19(26)22-11-16-4-2-3-5-17(16)21/h2-10H,11-12H2,1H3,(H,22,26)
InChIKeyHHVZVTKMBCYFQG-UHFFFAOYSA-N
MW380.84 g/mol
LogP3.97
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide

N-[(2-chlorophenyl)methyl]-2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide (PubChem CID 53032159) has the molecular formula C20H17ClN4O2 and a molecular weight of 380.84 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
PubChem CID53032159
Molecular FormulaC20H17ClN4O2
Molecular Weight380.84 g/mol
Exact Mass380.10
IUPAC NameN-[(2-chlorophenyl)methyl]-2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
SMILESCc1nnc(-c2ccc3ccn(CC(=O)NCc4ccccc4Cl)c3c2)o1
InChIInChI=1S/C20H17ClN4O2/c1-13-23-24-20(27-13)15-7-6-14-8-9-25(18(14)10-15)12-19(26)22-11-16-4-2-3-5-17(16)21/h2-10H,11-12H2,1H3,(H,22,26)
InChIKeyHHVZVTKMBCYFQG-UHFFFAOYSA-N
XLogP3.97
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.84
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide (CID 53032159) is N-[(2-chlorophenyl)methyl]-2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide is Cc1nnc(-c2ccc3ccn(CC(=O)NCc4ccccc4Cl)c3c2)o1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide?
The InChIKey is HHVZVTKMBCYFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O2/c1-13-23-24-20(27-13)15-7-6-14-8-9-25(18(14)10-15)12-19(26)22-11-16-4-2-3-5-17(16)21/h2-10H,11-12H2,1H3,(H,22,26).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide?
N-[(2-chlorophenyl)methyl]-2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide has a molecular weight of 380.84 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide is sourced from PubChem (CID 53032159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).