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

C23H21ClN2O2 — CID 117065900

IUPAC1-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-3-phenyl-3H-indol-2-one
SMILESCOc1ccc(Cl)cc1CN(C)N1C(=O)C(c2ccccc2)c2ccccc21
InChIInChI=1S/C23H21ClN2O2/c1-25(15-17-14-18(24)12-13-21(17)28-2)26-20-11-7-6-10-19(20)22(23(26)27)16-8-4-3-5-9-16/h3-14,22H,15H2,1-2H3
InChIKeyPNZLQHBZRCNPBX-UHFFFAOYSA-N
MW392.89 g/mol
LogP4.87
Rot. Bonds5

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

1-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-3-phenyl-3H-indol-2-one (PubChem CID 117065900) has the molecular formula C23H21ClN2O2 and a molecular weight of 392.89 g/mol. Its IUPAC name is 1-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-3-phenyl-3H-indol-2-one.

Molecular Properties

Compound Name1-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-3-phenyl-3H-indol-2-one
PubChem CID117065900
Molecular FormulaC23H21ClN2O2
Molecular Weight392.89 g/mol
Exact Mass392.13
IUPAC Name1-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-3-phenyl-3H-indol-2-one
SMILESCOc1ccc(Cl)cc1CN(C)N1C(=O)C(c2ccccc2)c2ccccc21
InChIInChI=1S/C23H21ClN2O2/c1-25(15-17-14-18(24)12-13-21(17)28-2)26-20-11-7-6-10-19(20)22(23(26)27)16-8-4-3-5-9-16/h3-14,22H,15H2,1-2H3
InChIKeyPNZLQHBZRCNPBX-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-[(2-chloro-5-methoxyphenyl)methyl-methylamino]-3-phenyl-3H-indol-2-one
CID 117065927
[2-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 60921813
5-chloro-1-methyl-3-phenyl-3H-indol-2-one
CID 56690292
2-(5-chloro-2-methoxyphenyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]acetamide
CID 9069509
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 9136491
N-(2-oxo-3-phenyl-3H-indol-1-yl)-N-phenylacetamide
CID 13316077
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]propanenitrile
CID 60699813
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylpropan-2-amine
CID 78821316
2-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 42929851
N-[(5-chloro-2-methoxyphenyl)methyl]-1-phenylmethanamine
CID 4723308
4-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxybenzene
CID 626547
3-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 9332388

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-3-phenyl-3H-indol-2-one?
The IUPAC name of 1-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-3-phenyl-3H-indol-2-one (CID 117065900) is 1-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-3-phenyl-3H-indol-2-one.
What is the SMILES notation for 1-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-3-phenyl-3H-indol-2-one?
The canonical SMILES for 1-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-3-phenyl-3H-indol-2-one is COc1ccc(Cl)cc1CN(C)N1C(=O)C(c2ccccc2)c2ccccc21.
What is the InChIKey of 1-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-3-phenyl-3H-indol-2-one?
The InChIKey is PNZLQHBZRCNPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O2/c1-25(15-17-14-18(24)12-13-21(17)28-2)26-20-11-7-6-10-19(20)22(23(26)27)16-8-4-3-5-9-16/h3-14,22H,15H2,1-2H3.
What are the key properties of 1-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-3-phenyl-3H-indol-2-one?
1-[(5-chloro-2-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-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-3-phenyl-3H-indol-2-one is sourced from PubChem (CID 117065900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).