1-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(4-propylphenyl)ethyl]indol-2-one

C26H23ClFNO3 — CID 17078106

IUPAC1-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(4-propylphenyl)ethyl]indol-2-one
SMILESCCCc1ccc(C(=O)CC2(O)C(=O)N(Cc3c(F)cccc3Cl)c3ccccc32)cc1
InChIInChI=1S/C26H23ClFNO3/c1-2-6-17-11-13-18(14-12-17)24(30)15-26(32)20-7-3-4-10-23(20)29(25(26)31)16-19-21(27)8-5-9-22(19)28/h3-5,7-14,32H,2,6,15-16H2,1H3
InChIKeyKKAHRBMOKAIOOL-UHFFFAOYSA-N
MW451.93 g/mol
LogP5.44
Rot. Bonds7

About 1-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(4-propylphenyl)ethyl]indol-2-one

1-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(4-propylphenyl)ethyl]indol-2-one (PubChem CID 17078106) has the molecular formula C26H23ClFNO3 and a molecular weight of 451.93 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(4-propylphenyl)ethyl]indol-2-one.

Molecular Properties

Compound Name1-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(4-propylphenyl)ethyl]indol-2-one
PubChem CID17078106
Molecular FormulaC26H23ClFNO3
Molecular Weight451.93 g/mol
Exact Mass451.14
IUPAC Name1-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(4-propylphenyl)ethyl]indol-2-one
SMILESCCCc1ccc(C(=O)CC2(O)C(=O)N(Cc3c(F)cccc3Cl)c3ccccc32)cc1
InChIInChI=1S/C26H23ClFNO3/c1-2-6-17-11-13-18(14-12-17)24(30)15-26(32)20-7-3-4-10-23(20)29(25(26)31)16-19-21(27)8-5-9-22(19)28/h3-5,7-14,32H,2,6,15-16H2,1H3
InChIKeyKKAHRBMOKAIOOL-UHFFFAOYSA-N
XLogP5.44
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.93
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(4-propylphenyl)ethyl]indol-2-one with MolForge

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Related Compounds

SM-130686 free base
CID 9804743
6-Carbamoyl-4-(trifluoromethyl)-1-[2-(diethylamino)ethyl]-3-hydroxy-3-(2-chlorophenyl)indoline-2-one
CID 9890863
3-(2-Chlorophenyl)-1-[2-(diethylamino)ethyl]-3-hydroxy-2-oxo-4-(trifluoromethyl)indole-6-carboxamide;hydrochloride
CID 44525845
4,7-dichloro-3-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 71811891
3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-1,3-dihydro-2H-indol-2-one
CID 326411
3-Hydroxy-1-methyl-3-(2-oxo-2-phenylethyl)-1,3-dihydro-2H-indol-2-one
CID 325380
3-Hydroxy-3-phenacyl-1-prop-2-enylindol-2-one
CID 651977
1-allyl-3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-1,3-dihydro-2H-indol-2-one
CID 2925037
methyl {3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-1-yl}acetate
CID 2939448
1-(4-chlorobenzyl)-3-(3,3-dimethyl-2-oxobutyl)-3-hydroxy-1,3-dihydro-2H-indol-2-one
CID 2949587
3-hydroxy-3-{2-oxo-2-[4-(propan-2-yl)phenyl]ethyl}-1-propyl-1,3-dihydro-2H-indol-2-one
CID 4414000
5-bromo-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1-(2-phenylethyl)-1,3-dihydro-2H-indol-2-one
CID 15991221

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(4-propylphenyl)ethyl]indol-2-one?
The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(4-propylphenyl)ethyl]indol-2-one (CID 17078106) is 1-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(4-propylphenyl)ethyl]indol-2-one.
What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(4-propylphenyl)ethyl]indol-2-one?
The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(4-propylphenyl)ethyl]indol-2-one is CCCc1ccc(C(=O)CC2(O)C(=O)N(Cc3c(F)cccc3Cl)c3ccccc32)cc1.
What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(4-propylphenyl)ethyl]indol-2-one?
The InChIKey is KKAHRBMOKAIOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClFNO3/c1-2-6-17-11-13-18(14-12-17)24(30)15-26(32)20-7-3-4-10-23(20)29(25(26)31)16-19-21(27)8-5-9-22(19)28/h3-5,7-14,32H,2,6,15-16H2,1H3.
What are the key properties of 1-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(4-propylphenyl)ethyl]indol-2-one?
1-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(4-propylphenyl)ethyl]indol-2-one has a molecular weight of 451.93 g/mol, XLogP of 5.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-fluorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(4-propylphenyl)ethyl]indol-2-one is sourced from PubChem (CID 17078106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).