2-(3-bromoanilino)-N-[2-(1H-indol-3-yl)ethyl]benzamide

C23H20BrN3O — CID 162373926

IUPAC2-(3-bromoanilino)-N-[2-(1H-indol-3-yl)ethyl]benzamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1ccccc1Nc1cccc(Br)c1
InChIInChI=1S/C23H20BrN3O/c24-17-6-5-7-18(14-17)27-22-11-4-2-9-20(22)23(28)25-13-12-16-15-26-21-10-3-1-8-19(16)21/h1-11,14-15,26-27H,12-13H2,(H,25,28)
InChIKeyXAGPQKIKCKGZPH-UHFFFAOYSA-N
MW434.34 g/mol
LogP5.65
Rot. Bonds6

About 2-(3-bromoanilino)-N-[2-(1H-indol-3-yl)ethyl]benzamide

2-(3-bromoanilino)-N-[2-(1H-indol-3-yl)ethyl]benzamide (PubChem CID 162373926) has the molecular formula C23H20BrN3O and a molecular weight of 434.34 g/mol. Its IUPAC name is 2-(3-bromoanilino)-N-[2-(1H-indol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-(3-bromoanilino)-N-[2-(1H-indol-3-yl)ethyl]benzamide
PubChem CID162373926
Molecular FormulaC23H20BrN3O
Molecular Weight434.34 g/mol
Exact Mass433.08
IUPAC Name2-(3-bromoanilino)-N-[2-(1H-indol-3-yl)ethyl]benzamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1ccccc1Nc1cccc(Br)c1
InChIInChI=1S/C23H20BrN3O/c24-17-6-5-7-18(14-17)27-22-11-4-2-9-20(22)23(28)25-13-12-16-15-26-21-10-3-1-8-19(16)21/h1-11,14-15,26-27H,12-13H2,(H,25,28)
InChIKeyXAGPQKIKCKGZPH-UHFFFAOYSA-N
XLogP5.65
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.34
LogP ≤ 55.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromoanilino)-N-[2-(1H-indol-3-yl)ethyl]benzamide?
The IUPAC name of 2-(3-bromoanilino)-N-[2-(1H-indol-3-yl)ethyl]benzamide (CID 162373926) is 2-(3-bromoanilino)-N-[2-(1H-indol-3-yl)ethyl]benzamide.
What is the SMILES notation for 2-(3-bromoanilino)-N-[2-(1H-indol-3-yl)ethyl]benzamide?
The canonical SMILES for 2-(3-bromoanilino)-N-[2-(1H-indol-3-yl)ethyl]benzamide is O=C(NCCc1c[nH]c2ccccc12)c1ccccc1Nc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromoanilino)-N-[2-(1H-indol-3-yl)ethyl]benzamide?
The InChIKey is XAGPQKIKCKGZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20BrN3O/c24-17-6-5-7-18(14-17)27-22-11-4-2-9-20(22)23(28)25-13-12-16-15-26-21-10-3-1-8-19(16)21/h1-11,14-15,26-27H,12-13H2,(H,25,28).
What are the key properties of 2-(3-bromoanilino)-N-[2-(1H-indol-3-yl)ethyl]benzamide?
2-(3-bromoanilino)-N-[2-(1H-indol-3-yl)ethyl]benzamide has a molecular weight of 434.34 g/mol, XLogP of 5.65, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromoanilino)-N-[2-(1H-indol-3-yl)ethyl]benzamide is sourced from PubChem (CID 162373926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).