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

C24H20ClFN2O — CID 71451288

IUPACN-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-[(3-fluorophenyl)methyl]benzamide
SMILESO=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(Cc2cccc(F)c2)cc1
InChIInChI=1S/C24H20ClFN2O/c25-20-8-9-23-22(14-20)19(15-28-23)10-11-27-24(29)18-6-4-16(5-7-18)12-17-2-1-3-21(26)13-17/h1-9,13-15,28H,10-12H2,(H,27,29)
InChIKeyYBIHDEVWBQUTNB-UHFFFAOYSA-N
MW406.89 g/mol
LogP5.52
Rot. Bonds6

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

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-[(3-fluorophenyl)methyl]benzamide (PubChem CID 71451288) has the molecular formula C24H20ClFN2O and a molecular weight of 406.89 g/mol. Its IUPAC name is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-[(3-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-[(3-fluorophenyl)methyl]benzamide
PubChem CID71451288
Molecular FormulaC24H20ClFN2O
Molecular Weight406.89 g/mol
Exact Mass406.12
IUPAC NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-[(3-fluorophenyl)methyl]benzamide
SMILESO=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(Cc2cccc(F)c2)cc1
InChIInChI=1S/C24H20ClFN2O/c25-20-8-9-23-22(14-20)19(15-28-23)10-11-27-24(29)18-6-4-16(5-7-18)12-17-2-1-3-21(26)13-17/h1-9,13-15,28H,10-12H2,(H,27,29)
InChIKeyYBIHDEVWBQUTNB-UHFFFAOYSA-N
XLogP5.52
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.89
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-[(3-fluorophenyl)methyl]benzamide?
The IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-[(3-fluorophenyl)methyl]benzamide (CID 71451288) is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-[(3-fluorophenyl)methyl]benzamide.
What is the SMILES notation for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-[(3-fluorophenyl)methyl]benzamide?
The canonical SMILES for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-[(3-fluorophenyl)methyl]benzamide is O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(Cc2cccc(F)c2)cc1.
What is the InChIKey of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-[(3-fluorophenyl)methyl]benzamide?
The InChIKey is YBIHDEVWBQUTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClFN2O/c25-20-8-9-23-22(14-20)19(15-28-23)10-11-27-24(29)18-6-4-16(5-7-18)12-17-2-1-3-21(26)13-17/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-fluorophenyl)methyl]benzamide?
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-[(3-fluorophenyl)methyl]benzamide has a molecular weight of 406.89 g/mol, XLogP of 5.52, 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-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 71451288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).