N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-4-pyridin-3-yloxybenzamide

C25H25ClFN3O3 — CID 60588609

IUPACN-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-4-pyridin-3-yloxybenzamide
SMILESCC1CN(C(CNC(=O)c2ccc(Oc3cccnc3)cc2)c2c(F)cccc2Cl)CCO1
InChIInChI=1S/C25H25ClFN3O3/c1-17-16-30(12-13-32-17)23(24-21(26)5-2-6-22(24)27)15-29-25(31)18-7-9-19(10-8-18)33-20-4-3-11-28-14-20/h2-11,14,17,23H,12-13,15-16H2,1H3,(H,29,31)
InChIKeyPXUJCTQQIICVFX-UHFFFAOYSA-N
MW469.94 g/mol
LogP4.86
Rot. Bonds7

About N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-4-pyridin-3-yloxybenzamide

N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-4-pyridin-3-yloxybenzamide (PubChem CID 60588609) has the molecular formula C25H25ClFN3O3 and a molecular weight of 469.94 g/mol. Its IUPAC name is N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-4-pyridin-3-yloxybenzamide.

Molecular Properties

Compound NameN-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-4-pyridin-3-yloxybenzamide
PubChem CID60588609
Molecular FormulaC25H25ClFN3O3
Molecular Weight469.94 g/mol
Exact Mass469.16
IUPAC NameN-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-4-pyridin-3-yloxybenzamide
SMILESCC1CN(C(CNC(=O)c2ccc(Oc3cccnc3)cc2)c2c(F)cccc2Cl)CCO1
InChIInChI=1S/C25H25ClFN3O3/c1-17-16-30(12-13-32-17)23(24-21(26)5-2-6-22(24)27)15-29-25(31)18-7-9-19(10-8-18)33-20-4-3-11-28-14-20/h2-11,14,17,23H,12-13,15-16H2,1H3,(H,29,31)
InChIKeyPXUJCTQQIICVFX-UHFFFAOYSA-N
XLogP4.86
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.94
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-1-methylpyrazole-4-carboxamide
CID 86990626
N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-4-[(E)-methoxyiminomethyl]benzamide
CID 60556168
2-chloro-N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]benzamide
CID 47035989
2-chloro-N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-6-fluorobenzamide
CID 55714599
N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-2-oxo-1H-pyridine-4-carboxamide
CID 154750278
N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]acetamide
CID 51080950
N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-1-oxidopyridin-1-ium-2-carboxamide
CID 60513372
N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-5-methylsulfonylfuran-2-carboxamide
CID 86944324
N-[(2S)-2-(2-chloro-6-fluorophenyl)-2-[(2R)-2-methylmorpholin-4-yl]ethyl]-3-methylbutanamide
CID 94866265
2-amino-N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-2-methylpropanamide
CID 119849364
4-chloro-N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-[(2R)-2-methylmorpholin-4-yl]ethyl]-1-methylpyrrole-2-carboxamide
CID 52501681
N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-4-(methylamino)butanamide
CID 119849366

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-4-pyridin-3-yloxybenzamide?
The IUPAC name of N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-4-pyridin-3-yloxybenzamide (CID 60588609) is N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-4-pyridin-3-yloxybenzamide.
What is the SMILES notation for N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-4-pyridin-3-yloxybenzamide?
The canonical SMILES for N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-4-pyridin-3-yloxybenzamide is CC1CN(C(CNC(=O)c2ccc(Oc3cccnc3)cc2)c2c(F)cccc2Cl)CCO1.
What is the InChIKey of N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-4-pyridin-3-yloxybenzamide?
The InChIKey is PXUJCTQQIICVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClFN3O3/c1-17-16-30(12-13-32-17)23(24-21(26)5-2-6-22(24)27)15-29-25(31)18-7-9-19(10-8-18)33-20-4-3-11-28-14-20/h2-11,14,17,23H,12-13,15-16H2,1H3,(H,29,31).
What are the key properties of N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-4-pyridin-3-yloxybenzamide?
N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-4-pyridin-3-yloxybenzamide has a molecular weight of 469.94 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-4-pyridin-3-yloxybenzamide is sourced from PubChem (CID 60588609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).