1-[1-[(3-aminophenyl)methyl]-5-chloro-3-(2-fluorophenyl)indol-2-yl]ethanone

C23H18ClFN2O — CID 58240973

IUPAC1-[1-[(3-aminophenyl)methyl]-5-chloro-3-(2-fluorophenyl)indol-2-yl]ethanone
SMILESCC(=O)c1c(-c2ccccc2F)c2cc(Cl)ccc2n1Cc1cccc(N)c1
InChIInChI=1S/C23H18ClFN2O/c1-14(28)23-22(18-7-2-3-8-20(18)25)19-12-16(24)9-10-21(19)27(23)13-15-5-4-6-17(26)11-15/h2-12H,13,26H2,1H3
InChIKeyFSYOSQBRAKZODS-UHFFFAOYSA-N
MW392.86 g/mol
LogP5.93
Rot. Bonds4

About 1-[1-[(3-aminophenyl)methyl]-5-chloro-3-(2-fluorophenyl)indol-2-yl]ethanone

1-[1-[(3-aminophenyl)methyl]-5-chloro-3-(2-fluorophenyl)indol-2-yl]ethanone (PubChem CID 58240973) has the molecular formula C23H18ClFN2O and a molecular weight of 392.86 g/mol. Its IUPAC name is 1-[1-[(3-aminophenyl)methyl]-5-chloro-3-(2-fluorophenyl)indol-2-yl]ethanone.

Molecular Properties

Compound Name1-[1-[(3-aminophenyl)methyl]-5-chloro-3-(2-fluorophenyl)indol-2-yl]ethanone
PubChem CID58240973
Molecular FormulaC23H18ClFN2O
Molecular Weight392.86 g/mol
Exact Mass392.11
IUPAC Name1-[1-[(3-aminophenyl)methyl]-5-chloro-3-(2-fluorophenyl)indol-2-yl]ethanone
SMILESCC(=O)c1c(-c2ccccc2F)c2cc(Cl)ccc2n1Cc1cccc(N)c1
InChIInChI=1S/C23H18ClFN2O/c1-14(28)23-22(18-7-2-3-8-20(18)25)19-12-16(24)9-10-21(19)27(23)13-15-5-4-6-17(26)11-15/h2-12H,13,26H2,1H3
InChIKeyFSYOSQBRAKZODS-UHFFFAOYSA-N
XLogP5.93
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.86
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-aminophenyl)methyl]-5-chloro-3-(2-fluorophenyl)indol-2-yl]ethanone?
The IUPAC name of 1-[1-[(3-aminophenyl)methyl]-5-chloro-3-(2-fluorophenyl)indol-2-yl]ethanone (CID 58240973) is 1-[1-[(3-aminophenyl)methyl]-5-chloro-3-(2-fluorophenyl)indol-2-yl]ethanone.
What is the SMILES notation for 1-[1-[(3-aminophenyl)methyl]-5-chloro-3-(2-fluorophenyl)indol-2-yl]ethanone?
The canonical SMILES for 1-[1-[(3-aminophenyl)methyl]-5-chloro-3-(2-fluorophenyl)indol-2-yl]ethanone is CC(=O)c1c(-c2ccccc2F)c2cc(Cl)ccc2n1Cc1cccc(N)c1.
What is the InChIKey of 1-[1-[(3-aminophenyl)methyl]-5-chloro-3-(2-fluorophenyl)indol-2-yl]ethanone?
The InChIKey is FSYOSQBRAKZODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClFN2O/c1-14(28)23-22(18-7-2-3-8-20(18)25)19-12-16(24)9-10-21(19)27(23)13-15-5-4-6-17(26)11-15/h2-12H,13,26H2,1H3.
What are the key properties of 1-[1-[(3-aminophenyl)methyl]-5-chloro-3-(2-fluorophenyl)indol-2-yl]ethanone?
1-[1-[(3-aminophenyl)methyl]-5-chloro-3-(2-fluorophenyl)indol-2-yl]ethanone has a molecular weight of 392.86 g/mol, XLogP of 5.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-aminophenyl)methyl]-5-chloro-3-(2-fluorophenyl)indol-2-yl]ethanone is sourced from PubChem (CID 58240973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).