(2-amino-1-benzoylindol-3-yl)-phenylmethanone

C22H16N2O2 — CID 51700673

IUPAC(2-amino-1-benzoylindol-3-yl)-phenylmethanone
SMILESNc1c(C(=O)c2ccccc2)c2ccccc2n1C(=O)c1ccccc1
InChIInChI=1S/C22H16N2O2/c23-21-19(20(25)15-9-3-1-4-10-15)17-13-7-8-14-18(17)24(21)22(26)16-11-5-2-6-12-16/h1-14H,23H2
InChIKeyCRXFMWNTLWPKTL-UHFFFAOYSA-N
MW340.38 g/mol
LogP4.14
Rot. Bonds3

About (2-amino-1-benzoylindol-3-yl)-phenylmethanone

(2-amino-1-benzoylindol-3-yl)-phenylmethanone (PubChem CID 51700673) has the molecular formula C22H16N2O2 and a molecular weight of 340.38 g/mol. Its IUPAC name is (2-amino-1-benzoylindol-3-yl)-phenylmethanone.

Molecular Properties

Compound Name(2-amino-1-benzoylindol-3-yl)-phenylmethanone
PubChem CID51700673
Molecular FormulaC22H16N2O2
Molecular Weight340.38 g/mol
Exact Mass340.12
IUPAC Name(2-amino-1-benzoylindol-3-yl)-phenylmethanone
SMILESNc1c(C(=O)c2ccccc2)c2ccccc2n1C(=O)c1ccccc1
InChIInChI=1S/C22H16N2O2/c23-21-19(20(25)15-9-3-1-4-10-15)17-13-7-8-14-18(17)24(21)22(26)16-11-5-2-6-12-16/h1-14H,23H2
InChIKeyCRXFMWNTLWPKTL-UHFFFAOYSA-N
XLogP4.14
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-amino-1-benzoylindol-3-yl)-phenylmethanone?
The IUPAC name of (2-amino-1-benzoylindol-3-yl)-phenylmethanone (CID 51700673) is (2-amino-1-benzoylindol-3-yl)-phenylmethanone.
What is the SMILES notation for (2-amino-1-benzoylindol-3-yl)-phenylmethanone?
The canonical SMILES for (2-amino-1-benzoylindol-3-yl)-phenylmethanone is Nc1c(C(=O)c2ccccc2)c2ccccc2n1C(=O)c1ccccc1.
What is the InChIKey of (2-amino-1-benzoylindol-3-yl)-phenylmethanone?
The InChIKey is CRXFMWNTLWPKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O2/c23-21-19(20(25)15-9-3-1-4-10-15)17-13-7-8-14-18(17)24(21)22(26)16-11-5-2-6-12-16/h1-14H,23H2.
What are the key properties of (2-amino-1-benzoylindol-3-yl)-phenylmethanone?
(2-amino-1-benzoylindol-3-yl)-phenylmethanone has a molecular weight of 340.38 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1-benzoylindol-3-yl)-phenylmethanone is sourced from PubChem (CID 51700673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).