5,7-dichloro-3-hydroxy-3-[2-[3-[hydroxy(oxido)amino]phenyl]-2-oxoethyl]-1H-indol-2-one

C16H11Cl2N2O5- — CID 21141787

IUPAC5,7-dichloro-3-hydroxy-3-[2-[3-[hydroxy(oxido)amino]phenyl]-2-oxoethyl]-1H-indol-2-one
SMILESO=C(CC1(O)C(=O)Nc2c(Cl)cc(Cl)cc21)c1cccc(N([O-])O)c1
InChIInChI=1S/C16H11Cl2N2O5/c17-9-5-11-14(12(18)6-9)19-15(22)16(11,23)7-13(21)8-2-1-3-10(4-8)20(24)25/h1-6,23-24H,7H2,(H,19,22)/q-1
InChIKeyRKXAWOYXPOAFIY-UHFFFAOYSA-N
MW382.18 g/mol
LogP3.10
Rot. Bonds4

About 5,7-dichloro-3-hydroxy-3-[2-[3-[hydroxy(oxido)amino]phenyl]-2-oxoethyl]-1H-indol-2-one

5,7-dichloro-3-hydroxy-3-[2-[3-[hydroxy(oxido)amino]phenyl]-2-oxoethyl]-1H-indol-2-one (PubChem CID 21141787) has the molecular formula C16H11Cl2N2O5- and a molecular weight of 382.18 g/mol. Its IUPAC name is 5,7-dichloro-3-hydroxy-3-[2-[3-[hydroxy(oxido)amino]phenyl]-2-oxoethyl]-1H-indol-2-one.

Molecular Properties

Compound Name5,7-dichloro-3-hydroxy-3-[2-[3-[hydroxy(oxido)amino]phenyl]-2-oxoethyl]-1H-indol-2-one
PubChem CID21141787
Molecular FormulaC16H11Cl2N2O5-
Molecular Weight382.18 g/mol
Exact Mass381.01
IUPAC Name5,7-dichloro-3-hydroxy-3-[2-[3-[hydroxy(oxido)amino]phenyl]-2-oxoethyl]-1H-indol-2-one
SMILESO=C(CC1(O)C(=O)Nc2c(Cl)cc(Cl)cc21)c1cccc(N([O-])O)c1
InChIInChI=1S/C16H11Cl2N2O5/c17-9-5-11-14(12(18)6-9)19-15(22)16(11,23)7-13(21)8-2-1-3-10(4-8)20(24)25/h1-6,23-24H,7H2,(H,19,22)/q-1
InChIKeyRKXAWOYXPOAFIY-UHFFFAOYSA-N
XLogP3.10
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.18
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-cyano-N-[(E)-[2-(5,7-dichloro-3-hydroxy-2-oxo-1H-indol-3-yl)-1-phenylethylidene]amino]acetamide
CID 6062814
(3R)-4,6-dichloro-3-hydroxy-3-[2-(3-nitrophenyl)-2-oxoethyl]-1H-indol-2-one
CID 1421987
(3S)-4,6-dichloro-3-hydroxy-3-[2-(3-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one
CID 2023785
(3R)-4,6-dichloro-3-hydroxy-3-(2-naphthalen-2-yl-2-oxoethyl)-1H-indol-2-one
CID 7559976
(3S)-3-hydroxy-7-methyl-3-[2-(3-nitrophenyl)-2-oxoethyl]-1H-indol-2-one
CID 92502313
4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one
CID 121268277
(3R)-3-[2-(3-bromophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 2059550
(3S)-4,7-dichloro-3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 986259
(3R)-7-chloro-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one
CID 39315528
(3R)-3-hydroxy-7-methyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1H-indol-2-one
CID 796109
3-[hydroxy(oxido)amino]benzohydrazide
CID 163158257
(3R)-4-chloro-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one
CID 7275803

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-3-hydroxy-3-[2-[3-[hydroxy(oxido)amino]phenyl]-2-oxoethyl]-1H-indol-2-one?
The IUPAC name of 5,7-dichloro-3-hydroxy-3-[2-[3-[hydroxy(oxido)amino]phenyl]-2-oxoethyl]-1H-indol-2-one (CID 21141787) is 5,7-dichloro-3-hydroxy-3-[2-[3-[hydroxy(oxido)amino]phenyl]-2-oxoethyl]-1H-indol-2-one.
What is the SMILES notation for 5,7-dichloro-3-hydroxy-3-[2-[3-[hydroxy(oxido)amino]phenyl]-2-oxoethyl]-1H-indol-2-one?
The canonical SMILES for 5,7-dichloro-3-hydroxy-3-[2-[3-[hydroxy(oxido)amino]phenyl]-2-oxoethyl]-1H-indol-2-one is O=C(CC1(O)C(=O)Nc2c(Cl)cc(Cl)cc21)c1cccc(N([O-])O)c1.
What is the InChIKey of 5,7-dichloro-3-hydroxy-3-[2-[3-[hydroxy(oxido)amino]phenyl]-2-oxoethyl]-1H-indol-2-one?
The InChIKey is RKXAWOYXPOAFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N2O5/c17-9-5-11-14(12(18)6-9)19-15(22)16(11,23)7-13(21)8-2-1-3-10(4-8)20(24)25/h1-6,23-24H,7H2,(H,19,22)/q-1.
What are the key properties of 5,7-dichloro-3-hydroxy-3-[2-[3-[hydroxy(oxido)amino]phenyl]-2-oxoethyl]-1H-indol-2-one?
5,7-dichloro-3-hydroxy-3-[2-[3-[hydroxy(oxido)amino]phenyl]-2-oxoethyl]-1H-indol-2-one has a molecular weight of 382.18 g/mol, XLogP of 3.10, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-3-hydroxy-3-[2-[3-[hydroxy(oxido)amino]phenyl]-2-oxoethyl]-1H-indol-2-one is sourced from PubChem (CID 21141787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).