4,7-dichloro-3-[2-(4-cyclopropyl-6-methylcyclohexa-2,4-dien-1-yl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one

C20H19Cl2NO3 — CID 148607345

IUPAC4,7-dichloro-3-[2-(4-cyclopropyl-6-methylcyclohexa-2,4-dien-1-yl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
SMILESCC1C=C(C2CC2)C=CC1C(=O)CC1(O)C(=O)Nc2c(Cl)ccc(Cl)c21
InChIInChI=1S/C20H19Cl2NO3/c1-10-8-12(11-2-3-11)4-5-13(10)16(24)9-20(26)17-14(21)6-7-15(22)18(17)23-19(20)25/h4-8,10-11,13,26H,2-3,9H2,1H3,(H,23,25)
InChIKeyNDRPLTBXORDYIV-UHFFFAOYSA-N
MW392.28 g/mol
LogP4.25
Rot. Bonds4

About 4,7-dichloro-3-[2-(4-cyclopropyl-6-methylcyclohexa-2,4-dien-1-yl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one

4,7-dichloro-3-[2-(4-cyclopropyl-6-methylcyclohexa-2,4-dien-1-yl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one (PubChem CID 148607345) has the molecular formula C20H19Cl2NO3 and a molecular weight of 392.28 g/mol. Its IUPAC name is 4,7-dichloro-3-[2-(4-cyclopropyl-6-methylcyclohexa-2,4-dien-1-yl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one.

Molecular Properties

Compound Name4,7-dichloro-3-[2-(4-cyclopropyl-6-methylcyclohexa-2,4-dien-1-yl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
PubChem CID148607345
Molecular FormulaC20H19Cl2NO3
Molecular Weight392.28 g/mol
Exact Mass391.07
IUPAC Name4,7-dichloro-3-[2-(4-cyclopropyl-6-methylcyclohexa-2,4-dien-1-yl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
SMILESCC1C=C(C2CC2)C=CC1C(=O)CC1(O)C(=O)Nc2c(Cl)ccc(Cl)c21
InChIInChI=1S/C20H19Cl2NO3/c1-10-8-12(11-2-3-11)4-5-13(10)16(24)9-20(26)17-14(21)6-7-15(22)18(17)23-19(20)25/h4-8,10-11,13,26H,2-3,9H2,1H3,(H,23,25)
InChIKeyNDRPLTBXORDYIV-UHFFFAOYSA-N
XLogP4.25
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.28
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-4,7-dichloro-3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 986259
4,7-dichloro-3-[2-[2-fluoro-4-(2-methylcyclopropyl)phenyl]-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 126667963
1-[[2-(4,7-dichloro-3-hydroxy-2-oxo-1H-indol-3-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 175603391
(3S)-4,7-dichloro-3-hydroxy-3-[2-(4-methylsulfonylphenyl)-2-oxoethyl]-1H-indol-2-one
CID 121277286
4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one
CID 121268277
4-chloro-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one
CID 3152131
(3R)-4,7-dichloro-3-[2-(4-cyclopropyl-2-fluorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;(3S)-4,7-dichloro-3-[2-(4-cyclopropyl-2-fluorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;(3S)-4,7-dichloro-3-[2-[4-(dimethylamino)-1-bicyclo[2.2.2]octanyl]-2-oxoethyl]-3-hydroxy-1H-indol-2-one;(3S)-4,7-dichloro-3-hydroxy-3-[2-(4-methoxy-1-bicyclo[2.2.2]octanyl)-2-oxoethyl]-1H-indol-2-one;(3S)-4,7-dichloro-3-hydroxy-3-[2-(4-methoxycyclohexyl)-2-oxoethyl]-1H-indol-2-one
CID 158333341
4-chloro-3-hydroxy-7-methyl-3-(2-oxo-2-pyridin-4-ylethyl)-1H-indol-2-one
CID 12777142
4-chloro-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one
CID 2976345
2-cyano-N-[(Z)-[2-[(3R)-4,7-dichloro-3-hydroxy-2-oxo-1H-indol-3-yl]-1-(furan-2-yl)ethylidene]amino]acetamide
CID 92530343
(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
(3R)-4,7-dichloro-3-[2-(3,4-difluorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;(3S)-4,7-dichloro-3-[2-(3,4-difluorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one;(3R)-4,7-dichloro-3-hydroxy-3-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-indol-2-one;(3S)-4,7-dichloro-3-hydroxy-3-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-indol-2-one;4-[2-[(3R)-4,7-dichloro-3-hydroxy-2-oxo-1H-indol-3-yl]acetyl]benzamide;4-[2-[(3S)-4,7-dichloro-3-hydroxy-2-oxo-1H-indol-3-yl]acetyl]benzamide
CID 159495651

Frequently Asked Questions

What is the IUPAC name of 4,7-dichloro-3-[2-(4-cyclopropyl-6-methylcyclohexa-2,4-dien-1-yl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one?
The IUPAC name of 4,7-dichloro-3-[2-(4-cyclopropyl-6-methylcyclohexa-2,4-dien-1-yl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one (CID 148607345) is 4,7-dichloro-3-[2-(4-cyclopropyl-6-methylcyclohexa-2,4-dien-1-yl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one.
What is the SMILES notation for 4,7-dichloro-3-[2-(4-cyclopropyl-6-methylcyclohexa-2,4-dien-1-yl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one?
The canonical SMILES for 4,7-dichloro-3-[2-(4-cyclopropyl-6-methylcyclohexa-2,4-dien-1-yl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one is CC1C=C(C2CC2)C=CC1C(=O)CC1(O)C(=O)Nc2c(Cl)ccc(Cl)c21.
What is the InChIKey of 4,7-dichloro-3-[2-(4-cyclopropyl-6-methylcyclohexa-2,4-dien-1-yl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one?
The InChIKey is NDRPLTBXORDYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2NO3/c1-10-8-12(11-2-3-11)4-5-13(10)16(24)9-20(26)17-14(21)6-7-15(22)18(17)23-19(20)25/h4-8,10-11,13,26H,2-3,9H2,1H3,(H,23,25).
What are the key properties of 4,7-dichloro-3-[2-(4-cyclopropyl-6-methylcyclohexa-2,4-dien-1-yl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one?
4,7-dichloro-3-[2-(4-cyclopropyl-6-methylcyclohexa-2,4-dien-1-yl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one has a molecular weight of 392.28 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dichloro-3-[2-(4-cyclopropyl-6-methylcyclohexa-2,4-dien-1-yl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one is sourced from PubChem (CID 148607345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).