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

C23H18ClFN2O2 — CID 67974035

IUPACN-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(3-fluorophenoxy)benzamide
SMILESO=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(Oc2cccc(F)c2)cc1
InChIInChI=1S/C23H18ClFN2O2/c24-17-6-9-22-21(12-17)16(14-27-22)10-11-26-23(28)15-4-7-19(8-5-15)29-20-3-1-2-18(25)13-20/h1-9,12-14,27H,10-11H2,(H,26,28)
InChIKeyRNXHZZQMRXNWSJ-UHFFFAOYSA-N
MW408.86 g/mol
LogP5.73
Rot. Bonds6

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

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(3-fluorophenoxy)benzamide (PubChem CID 67974035) has the molecular formula C23H18ClFN2O2 and a molecular weight of 408.86 g/mol. Its IUPAC name is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(3-fluorophenoxy)benzamide.

Molecular Properties

Compound NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(3-fluorophenoxy)benzamide
PubChem CID67974035
Molecular FormulaC23H18ClFN2O2
Molecular Weight408.86 g/mol
Exact Mass408.10
IUPAC NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(3-fluorophenoxy)benzamide
SMILESO=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(Oc2cccc(F)c2)cc1
InChIInChI=1S/C23H18ClFN2O2/c24-17-6-9-22-21(12-17)16(14-27-22)10-11-26-23(28)15-4-7-19(8-5-15)29-20-3-1-2-18(25)13-20/h1-9,12-14,27H,10-11H2,(H,26,28)
InChIKeyRNXHZZQMRXNWSJ-UHFFFAOYSA-N
XLogP5.73
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.86
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(3-fluorophenoxy)benzamide?
The IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(3-fluorophenoxy)benzamide (CID 67974035) is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(3-fluorophenoxy)benzamide.
What is the SMILES notation for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(3-fluorophenoxy)benzamide?
The canonical SMILES for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(3-fluorophenoxy)benzamide is O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(Oc2cccc(F)c2)cc1.
What is the InChIKey of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(3-fluorophenoxy)benzamide?
The InChIKey is RNXHZZQMRXNWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClFN2O2/c24-17-6-9-22-21(12-17)16(14-27-22)10-11-26-23(28)15-4-7-19(8-5-15)29-20-3-1-2-18(25)13-20/h1-9,12-14,27H,10-11H2,(H,26,28).
What are the key properties of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(3-fluorophenoxy)benzamide?
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(3-fluorophenoxy)benzamide has a molecular weight of 408.86 g/mol, XLogP of 5.73, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(3-fluorophenoxy)benzamide is sourced from PubChem (CID 67974035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).