2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-2,3-dihydroindol-3-yl]acetic acid

C19H18ClNO4 — CID 53394319

IUPAC2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-2,3-dihydroindol-3-yl]acetic acid
SMILESCOc1ccc2c(c1)C(CC(=O)O)C(C)N2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H18ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9,11,15H,10H2,1-2H3,(H,22,23)
InChIKeyLCUUTQDVRHCQTB-UHFFFAOYSA-N
MW359.81 g/mol
LogP3.96
Rot. Bonds4

About 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-2,3-dihydroindol-3-yl]acetic acid

2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-2,3-dihydroindol-3-yl]acetic acid (PubChem CID 53394319) has the molecular formula C19H18ClNO4 and a molecular weight of 359.81 g/mol. Its IUPAC name is 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-2,3-dihydroindol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-2,3-dihydroindol-3-yl]acetic acid
PubChem CID53394319
Molecular FormulaC19H18ClNO4
Molecular Weight359.81 g/mol
Exact Mass359.09
IUPAC Name2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-2,3-dihydroindol-3-yl]acetic acid
SMILESCOc1ccc2c(c1)C(CC(=O)O)C(C)N2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H18ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9,11,15H,10H2,1-2H3,(H,22,23)
InChIKeyLCUUTQDVRHCQTB-UHFFFAOYSA-N
XLogP3.96
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.81
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-2,3-dihydroindol-3-yl]acetic acid?
The IUPAC name of 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-2,3-dihydroindol-3-yl]acetic acid (CID 53394319) is 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-2,3-dihydroindol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-2,3-dihydroindol-3-yl]acetic acid?
The canonical SMILES for 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-2,3-dihydroindol-3-yl]acetic acid is COc1ccc2c(c1)C(CC(=O)O)C(C)N2C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-2,3-dihydroindol-3-yl]acetic acid?
The InChIKey is LCUUTQDVRHCQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9,11,15H,10H2,1-2H3,(H,22,23).
What are the key properties of 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-2,3-dihydroindol-3-yl]acetic acid?
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-2,3-dihydroindol-3-yl]acetic acid has a molecular weight of 359.81 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-2,3-dihydroindol-3-yl]acetic acid is sourced from PubChem (CID 53394319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).