N-(1,2-benzoxazol-3-yl)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetamide

C24H16ClN3O3 — CID 23397151

IUPACN-(1,2-benzoxazol-3-yl)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetamide
SMILESO=C(Nc1noc2ccccc12)C(=O)c1cn(Cc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C24H16ClN3O3/c25-16-11-9-15(10-12-16)13-28-14-19(17-5-1-3-7-20(17)28)22(29)24(30)26-23-18-6-2-4-8-21(18)31-27-23/h1-12,14H,13H2,(H,26,27,30)
InChIKeyCNRATIYZPRKKDK-UHFFFAOYSA-N
MW429.86 g/mol
LogP5.31
Rot. Bonds5

About N-(1,2-benzoxazol-3-yl)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetamide

N-(1,2-benzoxazol-3-yl)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetamide (PubChem CID 23397151) has the molecular formula C24H16ClN3O3 and a molecular weight of 429.86 g/mol. Its IUPAC name is N-(1,2-benzoxazol-3-yl)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(1,2-benzoxazol-3-yl)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetamide
PubChem CID23397151
Molecular FormulaC24H16ClN3O3
Molecular Weight429.86 g/mol
Exact Mass429.09
IUPAC NameN-(1,2-benzoxazol-3-yl)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetamide
SMILESO=C(Nc1noc2ccccc12)C(=O)c1cn(Cc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C24H16ClN3O3/c25-16-11-9-15(10-12-16)13-28-14-19(17-5-1-3-7-20(17)28)22(29)24(30)26-23-18-6-2-4-8-21(18)31-27-23/h1-12,14H,13H2,(H,26,27,30)
InChIKeyCNRATIYZPRKKDK-UHFFFAOYSA-N
XLogP5.31
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.86
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(1,2-benzoxazol-3-yl)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetamide?
The IUPAC name of N-(1,2-benzoxazol-3-yl)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetamide (CID 23397151) is N-(1,2-benzoxazol-3-yl)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetamide.
What is the SMILES notation for N-(1,2-benzoxazol-3-yl)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetamide?
The canonical SMILES for N-(1,2-benzoxazol-3-yl)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetamide is O=C(Nc1noc2ccccc12)C(=O)c1cn(Cc2ccc(Cl)cc2)c2ccccc12.
What is the InChIKey of N-(1,2-benzoxazol-3-yl)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetamide?
The InChIKey is CNRATIYZPRKKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClN3O3/c25-16-11-9-15(10-12-16)13-28-14-19(17-5-1-3-7-20(17)28)22(29)24(30)26-23-18-6-2-4-8-21(18)31-27-23/h1-12,14H,13H2,(H,26,27,30).
What are the key properties of N-(1,2-benzoxazol-3-yl)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetamide?
N-(1,2-benzoxazol-3-yl)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetamide has a molecular weight of 429.86 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-benzoxazol-3-yl)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetamide is sourced from PubChem (CID 23397151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).