N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-[(3-chlorophenyl)methyl]benzamide

C24H20Cl2N2O — CID 71449488

IUPACN-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-[(3-chlorophenyl)methyl]benzamide
SMILESO=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(Cc2cccc(Cl)c2)cc1
InChIInChI=1S/C24H20Cl2N2O/c25-20-3-1-2-17(13-20)12-16-4-6-18(7-5-16)24(29)27-11-10-19-15-28-23-9-8-21(26)14-22(19)23/h1-9,13-15,28H,10-12H2,(H,27,29)
InChIKeyBFIRPPVLSJYBBN-UHFFFAOYSA-N
MW423.34 g/mol
LogP6.04
Rot. Bonds6

About N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-[(3-chlorophenyl)methyl]benzamide

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-[(3-chlorophenyl)methyl]benzamide (PubChem CID 71449488) has the molecular formula C24H20Cl2N2O and a molecular weight of 423.34 g/mol. Its IUPAC name is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-[(3-chlorophenyl)methyl]benzamide.

Molecular Properties

Compound NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-[(3-chlorophenyl)methyl]benzamide
PubChem CID71449488
Molecular FormulaC24H20Cl2N2O
Molecular Weight423.34 g/mol
Exact Mass422.10
IUPAC NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-[(3-chlorophenyl)methyl]benzamide
SMILESO=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(Cc2cccc(Cl)c2)cc1
InChIInChI=1S/C24H20Cl2N2O/c25-20-3-1-2-17(13-20)12-16-4-6-18(7-5-16)24(29)27-11-10-19-15-28-23-9-8-21(26)14-22(19)23/h1-9,13-15,28H,10-12H2,(H,27,29)
InChIKeyBFIRPPVLSJYBBN-UHFFFAOYSA-N
XLogP6.04
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.34
LogP ≤ 56.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-[(3-chlorophenyl)methyl]benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-[(3-chlorophenyl)methyl]benzamide?
The IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-[(3-chlorophenyl)methyl]benzamide (CID 71449488) is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-[(3-chlorophenyl)methyl]benzamide.
What is the SMILES notation for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-[(3-chlorophenyl)methyl]benzamide?
The canonical SMILES for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-[(3-chlorophenyl)methyl]benzamide is O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(Cc2cccc(Cl)c2)cc1.
What is the InChIKey of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-[(3-chlorophenyl)methyl]benzamide?
The InChIKey is BFIRPPVLSJYBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2N2O/c25-20-3-1-2-17(13-20)12-16-4-6-18(7-5-16)24(29)27-11-10-19-15-28-23-9-8-21(26)14-22(19)23/h1-9,13-15,28H,10-12H2,(H,27,29).
What are the key properties of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-[(3-chlorophenyl)methyl]benzamide?
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-[(3-chlorophenyl)methyl]benzamide has a molecular weight of 423.34 g/mol, XLogP of 6.04, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-[(3-chlorophenyl)methyl]benzamide is sourced from PubChem (CID 71449488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).