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

C23H19ClFN3O — CID 71458475

IUPACN-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-[(5-fluoro-3-pyridinyl)methyl]benzamide
SMILESO=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cccc(Cc2cncc(F)c2)c1
InChIInChI=1S/C23H19ClFN3O/c24-19-4-5-22-21(11-19)18(13-28-22)6-7-27-23(29)17-3-1-2-15(9-17)8-16-10-20(25)14-26-12-16/h1-5,9-14,28H,6-8H2,(H,27,29)
InChIKeyMUKZWNKZCWLNMI-UHFFFAOYSA-N
MW407.88 g/mol
LogP4.92
Rot. Bonds6

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

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-[(5-fluoro-3-pyridinyl)methyl]benzamide (PubChem CID 71458475) has the molecular formula C23H19ClFN3O and a molecular weight of 407.88 g/mol. Its IUPAC name is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-[(5-fluoro-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-[(5-fluoro-3-pyridinyl)methyl]benzamide
PubChem CID71458475
Molecular FormulaC23H19ClFN3O
Molecular Weight407.88 g/mol
Exact Mass407.12
IUPAC NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-[(5-fluoro-3-pyridinyl)methyl]benzamide
SMILESO=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cccc(Cc2cncc(F)c2)c1
InChIInChI=1S/C23H19ClFN3O/c24-19-4-5-22-21(11-19)18(13-28-22)6-7-27-23(29)17-3-1-2-15(9-17)8-16-10-20(25)14-26-12-16/h1-5,9-14,28H,6-8H2,(H,27,29)
InChIKeyMUKZWNKZCWLNMI-UHFFFAOYSA-N
XLogP4.92
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.88
LogP ≤ 54.92
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]-3-[(5-fluoro-3-pyridinyl)methyl]benzamide?
The IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-[(5-fluoro-3-pyridinyl)methyl]benzamide (CID 71458475) is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-[(5-fluoro-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-[(5-fluoro-3-pyridinyl)methyl]benzamide?
The canonical SMILES for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-[(5-fluoro-3-pyridinyl)methyl]benzamide is O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cccc(Cc2cncc(F)c2)c1.
What is the InChIKey of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-[(5-fluoro-3-pyridinyl)methyl]benzamide?
The InChIKey is MUKZWNKZCWLNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFN3O/c24-19-4-5-22-21(11-19)18(13-28-22)6-7-27-23(29)17-3-1-2-15(9-17)8-16-10-20(25)14-26-12-16/h1-5,9-14,28H,6-8H2,(H,27,29).
What are the key properties of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-[(5-fluoro-3-pyridinyl)methyl]benzamide?
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-[(5-fluoro-3-pyridinyl)methyl]benzamide has a molecular weight of 407.88 g/mol, XLogP of 4.92, 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]-3-[(5-fluoro-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 71458475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).