1-[(2-chloro-5-methoxyphenyl)methyl-methylamino]-3-phenyl-3H-indol-2-one

C23H21ClN2O2 — CID 117065927

IUPAC1-[(2-chloro-5-methoxyphenyl)methyl-methylamino]-3-phenyl-3H-indol-2-one
SMILESCOc1ccc(Cl)c(CN(C)N2C(=O)C(c3ccccc3)c3ccccc32)c1
InChIInChI=1S/C23H21ClN2O2/c1-25(15-17-14-18(28-2)12-13-20(17)24)26-21-11-7-6-10-19(21)22(23(26)27)16-8-4-3-5-9-16/h3-14,22H,15H2,1-2H3
InChIKeyDYKGFKQVONDCKP-UHFFFAOYSA-N
MW392.89 g/mol
LogP4.87
Rot. Bonds5

About 1-[(2-chloro-5-methoxyphenyl)methyl-methylamino]-3-phenyl-3H-indol-2-one

1-[(2-chloro-5-methoxyphenyl)methyl-methylamino]-3-phenyl-3H-indol-2-one (PubChem CID 117065927) has the molecular formula C23H21ClN2O2 and a molecular weight of 392.89 g/mol. Its IUPAC name is 1-[(2-chloro-5-methoxyphenyl)methyl-methylamino]-3-phenyl-3H-indol-2-one.

Molecular Properties

Compound Name1-[(2-chloro-5-methoxyphenyl)methyl-methylamino]-3-phenyl-3H-indol-2-one
PubChem CID117065927
Molecular FormulaC23H21ClN2O2
Molecular Weight392.89 g/mol
Exact Mass392.13
IUPAC Name1-[(2-chloro-5-methoxyphenyl)methyl-methylamino]-3-phenyl-3H-indol-2-one
SMILESCOc1ccc(Cl)c(CN(C)N2C(=O)C(c3ccccc3)c3ccccc32)c1
InChIInChI=1S/C23H21ClN2O2/c1-25(15-17-14-18(28-2)12-13-20(17)24)26-21-11-7-6-10-19(21)22(23(26)27)16-8-4-3-5-9-16/h3-14,22H,15H2,1-2H3
InChIKeyDYKGFKQVONDCKP-UHFFFAOYSA-N
XLogP4.87
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-3-phenyl-3H-indol-2-one
CID 117065900
(3S)-1-[(3,4-dimethoxyphenyl)methyl-methylamino]-3-phenyl-3H-indol-2-one
CID 98176206
(3S)-1-[methyl(2-phenylethyl)amino]-3-phenyl-3H-indol-2-one
CID 98198135
1-ethyl-3-(3-methoxyphenyl)-3H-indol-2-one
CID 141342791
N-(2-oxo-3-phenyl-3H-indol-1-yl)-N-phenylacetamide
CID 13316077
(2-chloro-5-methoxyphenyl)methyl-triphenylphosphanium
CID 58901861
(3R)-3-[(2,5-dimethoxyphenyl)methyl]-1-ethyl-3H-indol-2-one
CID 26367875
2-(2-chloro-5-methoxyphenyl)ethanamine;hydrochloride
CID 11687211
3-(2-hydroxy-4-methoxyphenyl)-1-[(2-phenylphenyl)methyl]-3H-indol-2-one
CID 141266731
N-(4-fluorophenyl)-N-(2-oxo-3-phenyl-3H-indol-1-yl)acetamide
CID 4031336
2-[(2-chloro-5-methoxyphenyl)methyl]propanedioic acid
CID 67770104
5-methoxy-1-phenyl-1,3-dihydroinden-2-one
CID 14640420

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-5-methoxyphenyl)methyl-methylamino]-3-phenyl-3H-indol-2-one?
The IUPAC name of 1-[(2-chloro-5-methoxyphenyl)methyl-methylamino]-3-phenyl-3H-indol-2-one (CID 117065927) is 1-[(2-chloro-5-methoxyphenyl)methyl-methylamino]-3-phenyl-3H-indol-2-one.
What is the SMILES notation for 1-[(2-chloro-5-methoxyphenyl)methyl-methylamino]-3-phenyl-3H-indol-2-one?
The canonical SMILES for 1-[(2-chloro-5-methoxyphenyl)methyl-methylamino]-3-phenyl-3H-indol-2-one is COc1ccc(Cl)c(CN(C)N2C(=O)C(c3ccccc3)c3ccccc32)c1.
What is the InChIKey of 1-[(2-chloro-5-methoxyphenyl)methyl-methylamino]-3-phenyl-3H-indol-2-one?
The InChIKey is DYKGFKQVONDCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O2/c1-25(15-17-14-18(28-2)12-13-20(17)24)26-21-11-7-6-10-19(21)22(23(26)27)16-8-4-3-5-9-16/h3-14,22H,15H2,1-2H3.
What are the key properties of 1-[(2-chloro-5-methoxyphenyl)methyl-methylamino]-3-phenyl-3H-indol-2-one?
1-[(2-chloro-5-methoxyphenyl)methyl-methylamino]-3-phenyl-3H-indol-2-one has a molecular weight of 392.89 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-5-methoxyphenyl)methyl-methylamino]-3-phenyl-3H-indol-2-one is sourced from PubChem (CID 117065927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).