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

C24H21ClN2O4 — CID 1249750

IUPAC2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(furan-2-ylmethyl)acetamide
SMILESCOc1ccc2c(c1)c(CC(=O)NCc1ccco1)c(C)n2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H21ClN2O4/c1-15-20(13-23(28)26-14-19-4-3-11-31-19)21-12-18(30-2)9-10-22(21)27(15)24(29)16-5-7-17(25)8-6-16/h3-12H,13-14H2,1-2H3,(H,26,28)
InChIKeyVVOAIUJMJQAMAG-UHFFFAOYSA-N
MW436.90 g/mol
LogP4.75
Rot. Bonds6

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

2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 1249750) has the molecular formula C24H21ClN2O4 and a molecular weight of 436.90 g/mol. Its IUPAC name is 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(furan-2-ylmethyl)acetamide
PubChem CID1249750
Molecular FormulaC24H21ClN2O4
Molecular Weight436.90 g/mol
Exact Mass436.12
IUPAC Name2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(furan-2-ylmethyl)acetamide
SMILESCOc1ccc2c(c1)c(CC(=O)NCc1ccco1)c(C)n2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H21ClN2O4/c1-15-20(13-23(28)26-14-19-4-3-11-31-19)21-12-18(30-2)9-10-22(21)27(15)24(29)16-5-7-17(25)8-6-16/h3-12H,13-14H2,1-2H3,(H,26,28)
InChIKeyVVOAIUJMJQAMAG-UHFFFAOYSA-N
XLogP4.75
TPSA73.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.90
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Indomethacin
CID 3715
Proglumetacin
CID 4921
Oxametacin
CID 33675
Ethyl 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetate
CID 27861
Methyl 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetate
CID 15339
LM-4108
CID 4292
Indomethacin farnesil
CID 5282183
Glucametacin
CID 3033980
Indomethacin Sodium
CID 23675763
1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetamide
CID 22633
Indomethacin analog 1
CID 11394647
Indomethacin analog 3
CID 71523527

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(furan-2-ylmethyl)acetamide (CID 1249750) is 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(furan-2-ylmethyl)acetamide is COc1ccc2c(c1)c(CC(=O)NCc1ccco1)c(C)n2C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is VVOAIUJMJQAMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O4/c1-15-20(13-23(28)26-14-19-4-3-11-31-19)21-12-18(30-2)9-10-22(21)27(15)24(29)16-5-7-17(25)8-6-16/h3-12H,13-14H2,1-2H3,(H,26,28).
What are the key properties of 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(furan-2-ylmethyl)acetamide?
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 436.90 g/mol, XLogP of 4.75, 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-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 1249750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).