1-[(2-chlorophenyl)methyl]-3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]indol-2-one

C22H18ClNO4 — CID 2945791

IUPAC1-[(2-chlorophenyl)methyl]-3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]indol-2-one
SMILESCc1ccc(C(=O)CC2(O)C(=O)N(Cc3ccccc3Cl)c3ccccc32)o1
InChIInChI=1S/C22H18ClNO4/c1-14-10-11-20(28-14)19(25)12-22(27)16-7-3-5-9-18(16)24(21(22)26)13-15-6-2-4-8-17(15)23/h2-11,27H,12-13H2,1H3
InChIKeyHNVBLKHTUNOBJK-UHFFFAOYSA-N
MW395.84 g/mol
LogP4.25
Rot. Bonds5

About 1-[(2-chlorophenyl)methyl]-3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]indol-2-one

1-[(2-chlorophenyl)methyl]-3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]indol-2-one (PubChem CID 2945791) has the molecular formula C22H18ClNO4 and a molecular weight of 395.84 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]indol-2-one.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]indol-2-one
PubChem CID2945791
Molecular FormulaC22H18ClNO4
Molecular Weight395.84 g/mol
Exact Mass395.09
IUPAC Name1-[(2-chlorophenyl)methyl]-3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]indol-2-one
SMILESCc1ccc(C(=O)CC2(O)C(=O)N(Cc3ccccc3Cl)c3ccccc32)o1
InChIInChI=1S/C22H18ClNO4/c1-14-10-11-20(28-14)19(25)12-22(27)16-7-3-5-9-18(16)24(21(22)26)13-15-6-2-4-8-17(15)23/h2-11,27H,12-13H2,1H3
InChIKeyHNVBLKHTUNOBJK-UHFFFAOYSA-N
XLogP4.25
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.84
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]indol-2-one?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]indol-2-one (CID 2945791) is 1-[(2-chlorophenyl)methyl]-3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]indol-2-one.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]indol-2-one?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]indol-2-one is Cc1ccc(C(=O)CC2(O)C(=O)N(Cc3ccccc3Cl)c3ccccc32)o1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]indol-2-one?
The InChIKey is HNVBLKHTUNOBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClNO4/c1-14-10-11-20(28-14)19(25)12-22(27)16-7-3-5-9-18(16)24(21(22)26)13-15-6-2-4-8-17(15)23/h2-11,27H,12-13H2,1H3.
What are the key properties of 1-[(2-chlorophenyl)methyl]-3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]indol-2-one?
1-[(2-chlorophenyl)methyl]-3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]indol-2-one has a molecular weight of 395.84 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]indol-2-one is sourced from PubChem (CID 2945791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).