1-[1-(benzylamino)indol-2-yl]-2-phenylethanone

C23H20N2O — CID 67881324

IUPAC1-[1-(benzylamino)indol-2-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)c1cc2ccccc2n1NCc1ccccc1
InChIInChI=1S/C23H20N2O/c26-23(15-18-9-3-1-4-10-18)22-16-20-13-7-8-14-21(20)25(22)24-17-19-11-5-2-6-12-19/h1-14,16,24H,15,17H2
InChIKeyONRPTHBUWPKSHA-UHFFFAOYSA-N
MW340.43 g/mol
LogP4.81
Rot. Bonds6

About 1-[1-(benzylamino)indol-2-yl]-2-phenylethanone

1-[1-(benzylamino)indol-2-yl]-2-phenylethanone (PubChem CID 67881324) has the molecular formula C23H20N2O and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-[1-(benzylamino)indol-2-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[1-(benzylamino)indol-2-yl]-2-phenylethanone
PubChem CID67881324
Molecular FormulaC23H20N2O
Molecular Weight340.43 g/mol
Exact Mass340.16
IUPAC Name1-[1-(benzylamino)indol-2-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)c1cc2ccccc2n1NCc1ccccc1
InChIInChI=1S/C23H20N2O/c26-23(15-18-9-3-1-4-10-18)22-16-20-13-7-8-14-21(20)25(22)24-17-19-11-5-2-6-12-19/h1-14,16,24H,15,17H2
InChIKeyONRPTHBUWPKSHA-UHFFFAOYSA-N
XLogP4.81
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(benzylamino)indol-2-yl]-2-phenylethanone?
The IUPAC name of 1-[1-(benzylamino)indol-2-yl]-2-phenylethanone (CID 67881324) is 1-[1-(benzylamino)indol-2-yl]-2-phenylethanone.
What is the SMILES notation for 1-[1-(benzylamino)indol-2-yl]-2-phenylethanone?
The canonical SMILES for 1-[1-(benzylamino)indol-2-yl]-2-phenylethanone is O=C(Cc1ccccc1)c1cc2ccccc2n1NCc1ccccc1.
What is the InChIKey of 1-[1-(benzylamino)indol-2-yl]-2-phenylethanone?
The InChIKey is ONRPTHBUWPKSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O/c26-23(15-18-9-3-1-4-10-18)22-16-20-13-7-8-14-21(20)25(22)24-17-19-11-5-2-6-12-19/h1-14,16,24H,15,17H2.
What are the key properties of 1-[1-(benzylamino)indol-2-yl]-2-phenylethanone?
1-[1-(benzylamino)indol-2-yl]-2-phenylethanone has a molecular weight of 340.43 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(benzylamino)indol-2-yl]-2-phenylethanone is sourced from PubChem (CID 67881324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).