N-(4-chlorophenyl)-2-[5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetamide

C26H23ClN2O3 — CID 70691060

IUPACN-(4-chlorophenyl)-2-[5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetamide
SMILESCOc1ccc2c(c1)c(CC(=O)Nc1ccc(Cl)cc1)c(C)n2C(=O)c1ccc(C)cc1
InChIInChI=1S/C26H23ClN2O3/c1-16-4-6-18(7-5-16)26(31)29-17(2)22(23-14-21(32-3)12-13-24(23)29)15-25(30)28-20-10-8-19(27)9-11-20/h4-14H,15H2,1-3H3,(H,28,30)
InChIKeyADIDLXZRDWCGKS-UHFFFAOYSA-N
MW446.93 g/mol
LogP5.79
Rot. Bonds5

About N-(4-chlorophenyl)-2-[5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetamide

N-(4-chlorophenyl)-2-[5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetamide (PubChem CID 70691060) has the molecular formula C26H23ClN2O3 and a molecular weight of 446.93 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetamide
PubChem CID70691060
Molecular FormulaC26H23ClN2O3
Molecular Weight446.93 g/mol
Exact Mass446.14
IUPAC NameN-(4-chlorophenyl)-2-[5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetamide
SMILESCOc1ccc2c(c1)c(CC(=O)Nc1ccc(Cl)cc1)c(C)n2C(=O)c1ccc(C)cc1
InChIInChI=1S/C26H23ClN2O3/c1-16-4-6-18(7-5-16)26(31)29-17(2)22(23-14-21(32-3)12-13-24(23)29)15-25(30)28-20-10-8-19(27)9-11-20/h4-14H,15H2,1-3H3,(H,28,30)
InChIKeyADIDLXZRDWCGKS-UHFFFAOYSA-N
XLogP5.79
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.93
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetamide (CID 70691060) is N-(4-chlorophenyl)-2-[5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetamide is COc1ccc2c(c1)c(CC(=O)Nc1ccc(Cl)cc1)c(C)n2C(=O)c1ccc(C)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetamide?
The InChIKey is ADIDLXZRDWCGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN2O3/c1-16-4-6-18(7-5-16)26(31)29-17(2)22(23-14-21(32-3)12-13-24(23)29)15-25(30)28-20-10-8-19(27)9-11-20/h4-14H,15H2,1-3H3,(H,28,30).
What are the key properties of N-(4-chlorophenyl)-2-[5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetamide?
N-(4-chlorophenyl)-2-[5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetamide has a molecular weight of 446.93 g/mol, XLogP of 5.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetamide is sourced from PubChem (CID 70691060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).