1-[(2-chlorophenyl)methyl]-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxyindol-2-one

C21H16ClNO4 — CID 2916185

IUPAC1-[(2-chlorophenyl)methyl]-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxyindol-2-one
SMILESO=C(CC1(O)C(=O)N(Cc2ccccc2Cl)c2ccccc21)c1ccco1
InChIInChI=1S/C21H16ClNO4/c22-16-8-3-1-6-14(16)13-23-17-9-4-2-7-15(17)21(26,20(23)25)12-18(24)19-10-5-11-27-19/h1-11,26H,12-13H2
InChIKeyCTXAAJZBIPYIHG-UHFFFAOYSA-N
MW381.82 g/mol
LogP3.94
Rot. Bonds5

About 1-[(2-chlorophenyl)methyl]-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxyindol-2-one

1-[(2-chlorophenyl)methyl]-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxyindol-2-one (PubChem CID 2916185) has the molecular formula C21H16ClNO4 and a molecular weight of 381.82 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxyindol-2-one.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxyindol-2-one
PubChem CID2916185
Molecular FormulaC21H16ClNO4
Molecular Weight381.82 g/mol
Exact Mass381.08
IUPAC Name1-[(2-chlorophenyl)methyl]-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxyindol-2-one
SMILESO=C(CC1(O)C(=O)N(Cc2ccccc2Cl)c2ccccc21)c1ccco1
InChIInChI=1S/C21H16ClNO4/c22-16-8-3-1-6-14(16)13-23-17-9-4-2-7-15(17)21(26,20(23)25)12-18(24)19-10-5-11-27-19/h1-11,26H,12-13H2
InChIKeyCTXAAJZBIPYIHG-UHFFFAOYSA-N
XLogP3.94
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.82
LogP ≤ 53.94
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-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxyindol-2-one?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxyindol-2-one (CID 2916185) is 1-[(2-chlorophenyl)methyl]-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxyindol-2-one.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxyindol-2-one?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxyindol-2-one is O=C(CC1(O)C(=O)N(Cc2ccccc2Cl)c2ccccc21)c1ccco1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxyindol-2-one?
The InChIKey is CTXAAJZBIPYIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClNO4/c22-16-8-3-1-6-14(16)13-23-17-9-4-2-7-15(17)21(26,20(23)25)12-18(24)19-10-5-11-27-19/h1-11,26H,12-13H2.
What are the key properties of 1-[(2-chlorophenyl)methyl]-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxyindol-2-one?
1-[(2-chlorophenyl)methyl]-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxyindol-2-one has a molecular weight of 381.82 g/mol, XLogP of 3.94, 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-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxyindol-2-one is sourced from PubChem (CID 2916185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).