2-chloro-6-fluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzamide

C18H16ClFN2O2 — CID 71788665

IUPAC2-chloro-6-fluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzamide
SMILESCn1cc(C(O)CNC(=O)c2c(F)cccc2Cl)c2ccccc21
InChIInChI=1S/C18H16ClFN2O2/c1-22-10-12(11-5-2-3-8-15(11)22)16(23)9-21-18(24)17-13(19)6-4-7-14(17)20/h2-8,10,16,23H,9H2,1H3,(H,21,24)
InChIKeyWFYNRAPKSMINCO-UHFFFAOYSA-N
MW346.79 g/mol
LogP3.43
Rot. Bonds4

About 2-chloro-6-fluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzamide

2-chloro-6-fluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzamide (PubChem CID 71788665) has the molecular formula C18H16ClFN2O2 and a molecular weight of 346.79 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzamide
PubChem CID71788665
Molecular FormulaC18H16ClFN2O2
Molecular Weight346.79 g/mol
Exact Mass346.09
IUPAC Name2-chloro-6-fluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzamide
SMILESCn1cc(C(O)CNC(=O)c2c(F)cccc2Cl)c2ccccc21
InChIInChI=1S/C18H16ClFN2O2/c1-22-10-12(11-5-2-3-8-15(11)22)16(23)9-21-18(24)17-13(19)6-4-7-14(17)20/h2-8,10,16,23H,9H2,1H3,(H,21,24)
InChIKeyWFYNRAPKSMINCO-UHFFFAOYSA-N
XLogP3.43
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.79
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzamide (CID 71788665) is 2-chloro-6-fluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzamide is Cn1cc(C(O)CNC(=O)c2c(F)cccc2Cl)c2ccccc21.
What is the InChIKey of 2-chloro-6-fluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzamide?
The InChIKey is WFYNRAPKSMINCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN2O2/c1-22-10-12(11-5-2-3-8-15(11)22)16(23)9-21-18(24)17-13(19)6-4-7-14(17)20/h2-8,10,16,23H,9H2,1H3,(H,21,24).
What are the key properties of 2-chloro-6-fluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzamide?
2-chloro-6-fluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzamide has a molecular weight of 346.79 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzamide is sourced from PubChem (CID 71788665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).