2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-cyclohexyl-N-(cyclohexylcarbamoyl)acetamide

C32H38ClN3O4 — CID 10187979

IUPAC2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-cyclohexyl-N-(cyclohexylcarbamoyl)acetamide
SMILESCOc1ccc2c(c1)c(CC(=O)N(C(=O)NC1CCCCC1)C1CCCCC1)c(C)n2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C32H38ClN3O4/c1-21-27(20-30(37)36(25-11-7-4-8-12-25)32(39)34-24-9-5-3-6-10-24)28-19-26(40-2)17-18-29(28)35(21)31(38)22-13-15-23(33)16-14-22/h13-19,24-25H,3-12,20H2,1-2H3,(H,34,39)
InChIKeySHHMZKWCMADHMF-UHFFFAOYSA-N
MW564.13 g/mol
LogP7.05
Rot. Bonds6

About 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-cyclohexyl-N-(cyclohexylcarbamoyl)acetamide

2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-cyclohexyl-N-(cyclohexylcarbamoyl)acetamide (PubChem CID 10187979) has the molecular formula C32H38ClN3O4 and a molecular weight of 564.13 g/mol. Its IUPAC name is 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-cyclohexyl-N-(cyclohexylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-cyclohexyl-N-(cyclohexylcarbamoyl)acetamide
PubChem CID10187979
Molecular FormulaC32H38ClN3O4
Molecular Weight564.13 g/mol
Exact Mass563.26
IUPAC Name2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-cyclohexyl-N-(cyclohexylcarbamoyl)acetamide
SMILESCOc1ccc2c(c1)c(CC(=O)N(C(=O)NC1CCCCC1)C1CCCCC1)c(C)n2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C32H38ClN3O4/c1-21-27(20-30(37)36(25-11-7-4-8-12-25)32(39)34-24-9-5-3-6-10-24)28-19-26(40-2)17-18-29(28)35(21)31(38)22-13-15-23(33)16-14-22/h13-19,24-25H,3-12,20H2,1-2H3,(H,34,39)
InChIKeySHHMZKWCMADHMF-UHFFFAOYSA-N
XLogP7.05
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.13
LogP ≤ 57.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-cyclohexyl-N-(cyclohexylcarbamoyl)acetamide?
The IUPAC name of 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-cyclohexyl-N-(cyclohexylcarbamoyl)acetamide (CID 10187979) is 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-cyclohexyl-N-(cyclohexylcarbamoyl)acetamide.
What is the SMILES notation for 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-cyclohexyl-N-(cyclohexylcarbamoyl)acetamide?
The canonical SMILES for 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-cyclohexyl-N-(cyclohexylcarbamoyl)acetamide is COc1ccc2c(c1)c(CC(=O)N(C(=O)NC1CCCCC1)C1CCCCC1)c(C)n2C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-cyclohexyl-N-(cyclohexylcarbamoyl)acetamide?
The InChIKey is SHHMZKWCMADHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38ClN3O4/c1-21-27(20-30(37)36(25-11-7-4-8-12-25)32(39)34-24-9-5-3-6-10-24)28-19-26(40-2)17-18-29(28)35(21)31(38)22-13-15-23(33)16-14-22/h13-19,24-25H,3-12,20H2,1-2H3,(H,34,39).
What are the key properties of 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-cyclohexyl-N-(cyclohexylcarbamoyl)acetamide?
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-cyclohexyl-N-(cyclohexylcarbamoyl)acetamide has a molecular weight of 564.13 g/mol, XLogP of 7.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-cyclohexyl-N-(cyclohexylcarbamoyl)acetamide is sourced from PubChem (CID 10187979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).