5-(3-chloro-4-fluorophenyl)-3-[(5-fluoro-3-pyridinyl)methyl]-3-methyl-1H-indol-2-one

C21H15ClF2N2O — CID 25255587

IUPAC5-(3-chloro-4-fluorophenyl)-3-[(5-fluoro-3-pyridinyl)methyl]-3-methyl-1H-indol-2-one
SMILESCC1(Cc2cncc(F)c2)C(=O)Nc2ccc(-c3ccc(F)c(Cl)c3)cc21
InChIInChI=1S/C21H15ClF2N2O/c1-21(9-12-6-15(23)11-25-10-12)16-7-13(3-5-19(16)26-20(21)27)14-2-4-18(24)17(22)8-14/h2-8,10-11H,9H2,1H3,(H,26,27)
InChIKeyULZHJOXCNFOXFG-UHFFFAOYSA-N
MW384.81 g/mol
LogP5.13
Rot. Bonds3

About 5-(3-chloro-4-fluorophenyl)-3-[(5-fluoro-3-pyridinyl)methyl]-3-methyl-1H-indol-2-one

5-(3-chloro-4-fluorophenyl)-3-[(5-fluoro-3-pyridinyl)methyl]-3-methyl-1H-indol-2-one (PubChem CID 25255587) has the molecular formula C21H15ClF2N2O and a molecular weight of 384.81 g/mol. Its IUPAC name is 5-(3-chloro-4-fluorophenyl)-3-[(5-fluoro-3-pyridinyl)methyl]-3-methyl-1H-indol-2-one.

Molecular Properties

Compound Name5-(3-chloro-4-fluorophenyl)-3-[(5-fluoro-3-pyridinyl)methyl]-3-methyl-1H-indol-2-one
PubChem CID25255587
Molecular FormulaC21H15ClF2N2O
Molecular Weight384.81 g/mol
Exact Mass384.08
IUPAC Name5-(3-chloro-4-fluorophenyl)-3-[(5-fluoro-3-pyridinyl)methyl]-3-methyl-1H-indol-2-one
SMILESCC1(Cc2cncc(F)c2)C(=O)Nc2ccc(-c3ccc(F)c(Cl)c3)cc21
InChIInChI=1S/C21H15ClF2N2O/c1-21(9-12-6-15(23)11-25-10-12)16-7-13(3-5-19(16)26-20(21)27)14-2-4-18(24)17(22)8-14/h2-8,10-11H,9H2,1H3,(H,26,27)
InChIKeyULZHJOXCNFOXFG-UHFFFAOYSA-N
XLogP5.13
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.81
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(3-chloro-4-fluorophenyl)-3-[(5-fluoro-3-pyridinyl)methyl]-3-methyl-1H-indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3,4-difluorophenyl)-3-[(3,5-difluorophenyl)methyl]-3-methyl-1H-indol-2-one
CID 143785636
7-(5-aminopyrazin-2-yl)-5-(3-chloro-4-fluorophenyl)-3-methyl-3-(pyrimidin-5-ylmethyl)-1H-indol-2-one
CID 67533785
3-benzyl-3-methyl-5-(1-methylpyrazol-4-yl)-1H-indol-2-one
CID 155537652
3-[(5-chloro-2-methoxyphenyl)methyl]-5-fluoro-3-methyl-1H-indol-2-one
CID 58485436
5-(3-chloro-4-fluorophenyl)-1H-indole-2,3-dione
CID 136589815
7-(3-chloro-4-fluorophenyl)-5,5-bis(4-chlorophenyl)-1H-4,1-benzoxazepin-2-one
CID 68864080
5-fluoro-3-(2-methoxyethyl)-3-methyl-1H-indol-2-one
CID 58386493
5-chloro-6-fluoro-3,3-dimethyl-1H-indol-2-one
CID 103996520
6-chloro-5-fluoro-3,3-dimethyl-1H-indol-2-one
CID 163423174
3,3-dimethyl-5-phenyl-1H-indol-2-one
CID 79018952
3-methyl-3-[(4-methylphenyl)methyl]-1H-indol-2-one
CID 126469346
1-bromo-6-(3-chloro-4-fluorophenyl)-4,4-dimethyl-3,1-benzoxazin-2-one
CID 54538115

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-fluorophenyl)-3-[(5-fluoro-3-pyridinyl)methyl]-3-methyl-1H-indol-2-one?
The IUPAC name of 5-(3-chloro-4-fluorophenyl)-3-[(5-fluoro-3-pyridinyl)methyl]-3-methyl-1H-indol-2-one (CID 25255587) is 5-(3-chloro-4-fluorophenyl)-3-[(5-fluoro-3-pyridinyl)methyl]-3-methyl-1H-indol-2-one.
What is the SMILES notation for 5-(3-chloro-4-fluorophenyl)-3-[(5-fluoro-3-pyridinyl)methyl]-3-methyl-1H-indol-2-one?
The canonical SMILES for 5-(3-chloro-4-fluorophenyl)-3-[(5-fluoro-3-pyridinyl)methyl]-3-methyl-1H-indol-2-one is CC1(Cc2cncc(F)c2)C(=O)Nc2ccc(-c3ccc(F)c(Cl)c3)cc21.
What is the InChIKey of 5-(3-chloro-4-fluorophenyl)-3-[(5-fluoro-3-pyridinyl)methyl]-3-methyl-1H-indol-2-one?
The InChIKey is ULZHJOXCNFOXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClF2N2O/c1-21(9-12-6-15(23)11-25-10-12)16-7-13(3-5-19(16)26-20(21)27)14-2-4-18(24)17(22)8-14/h2-8,10-11H,9H2,1H3,(H,26,27).
What are the key properties of 5-(3-chloro-4-fluorophenyl)-3-[(5-fluoro-3-pyridinyl)methyl]-3-methyl-1H-indol-2-one?
5-(3-chloro-4-fluorophenyl)-3-[(5-fluoro-3-pyridinyl)methyl]-3-methyl-1H-indol-2-one has a molecular weight of 384.81 g/mol, XLogP of 5.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-fluorophenyl)-3-[(5-fluoro-3-pyridinyl)methyl]-3-methyl-1H-indol-2-one is sourced from PubChem (CID 25255587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).