2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide

C27H25ClN2O4 — CID 24825532

IUPAC2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
SMILESCOc1ccc2c(c1)c(CC(=O)N[C@@H](CO)c1ccccc1)c(C)n2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C27H25ClN2O4/c1-17-22(15-26(32)29-24(16-31)18-6-4-3-5-7-18)23-14-21(34-2)12-13-25(23)30(17)27(33)19-8-10-20(28)11-9-19/h3-14,24,31H,15-16H2,1-2H3,(H,29,32)/t24-/m0/s1
InChIKeyHBCGELQJRSFUJZ-DEOSSOPVSA-N
MW476.96 g/mol
LogP4.69
Rot. Bonds7

About 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide

2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide (PubChem CID 24825532) has the molecular formula C27H25ClN2O4 and a molecular weight of 476.96 g/mol. Its IUPAC name is 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
PubChem CID24825532
Molecular FormulaC27H25ClN2O4
Molecular Weight476.96 g/mol
Exact Mass476.15
IUPAC Name2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
SMILESCOc1ccc2c(c1)c(CC(=O)N[C@@H](CO)c1ccccc1)c(C)n2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C27H25ClN2O4/c1-17-22(15-26(32)29-24(16-31)18-6-4-3-5-7-18)23-14-21(34-2)12-13-25(23)30(17)27(33)19-8-10-20(28)11-9-19/h3-14,24,31H,15-16H2,1-2H3,(H,29,32)/t24-/m0/s1
InChIKeyHBCGELQJRSFUJZ-DEOSSOPVSA-N
XLogP4.69
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.96
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide with MolForge

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Related Compounds

Indomethacin
CID 3715
Acemetacin
CID 1981
Proglumetacin
CID 4921
Ethyl 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetate
CID 27861
Oxametacin
CID 33675
Methyl 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetate
CID 15339
1-(2,3-Dichlorobenzoyl)-5-methoxy-2-methyl-(3-(morpholin-4-yl)ethyl)-1H-indole hydrochloride
CID 9911463
LM-4108
CID 4292
Indomethacin farnesil
CID 5282183
Indomethacin Sodium
CID 23675763
Glucametacin
CID 3033980
1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetamide
CID 22633

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide?
The IUPAC name of 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide (CID 24825532) is 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide.
What is the SMILES notation for 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide?
The canonical SMILES for 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide is COc1ccc2c(c1)c(CC(=O)N[C@@H](CO)c1ccccc1)c(C)n2C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide?
The InChIKey is HBCGELQJRSFUJZ-DEOSSOPVSA-N. The full InChI is InChI=1S/C27H25ClN2O4/c1-17-22(15-26(32)29-24(16-31)18-6-4-3-5-7-18)23-14-21(34-2)12-13-25(23)30(17)27(33)19-8-10-20(28)11-9-19/h3-14,24,31H,15-16H2,1-2H3,(H,29,32)/t24-/m0/s1.
What are the key properties of 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide?
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide has a molecular weight of 476.96 g/mol, XLogP of 4.69, 7 rotatable bonds, 2 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-[(1R)-2-hydroxy-1-phenylethyl]acetamide is sourced from PubChem (CID 24825532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).