N-(5-chloro-2-methoxyphenyl)-3-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide

C23H26ClFN4O2 — CID 56539834

IUPACN-(5-chloro-2-methoxyphenyl)-3-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCN(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C23H26ClFN4O2/c1-29(13-11-23(30)26-21-14-17(24)7-10-22(21)31-2)12-3-4-19-15-20(28-27-19)16-5-8-18(25)9-6-16/h5-10,14-15H,3-4,11-13H2,1-2H3,(H,26,30)(H,27,28)
InChIKeyXMGFFPJLHSDYJL-UHFFFAOYSA-N
MW444.94 g/mol
LogP4.77
Rot. Bonds10

About N-(5-chloro-2-methoxyphenyl)-3-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide

N-(5-chloro-2-methoxyphenyl)-3-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide (PubChem CID 56539834) has the molecular formula C23H26ClFN4O2 and a molecular weight of 444.94 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-3-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-3-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide
PubChem CID56539834
Molecular FormulaC23H26ClFN4O2
Molecular Weight444.94 g/mol
Exact Mass444.17
IUPAC NameN-(5-chloro-2-methoxyphenyl)-3-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCN(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C23H26ClFN4O2/c1-29(13-11-23(30)26-21-14-17(24)7-10-22(21)31-2)12-3-4-19-15-20(28-27-19)16-5-8-18(25)9-6-16/h5-10,14-15H,3-4,11-13H2,1-2H3,(H,26,30)(H,27,28)
InChIKeyXMGFFPJLHSDYJL-UHFFFAOYSA-N
XLogP4.77
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.94
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide (CID 56539834) is N-(5-chloro-2-methoxyphenyl)-3-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-3-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-3-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide is COc1ccc(Cl)cc1NC(=O)CCN(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-3-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide?
The InChIKey is XMGFFPJLHSDYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClFN4O2/c1-29(13-11-23(30)26-21-14-17(24)7-10-22(21)31-2)12-3-4-19-15-20(28-27-19)16-5-8-18(25)9-6-16/h5-10,14-15H,3-4,11-13H2,1-2H3,(H,26,30)(H,27,28).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-3-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide?
N-(5-chloro-2-methoxyphenyl)-3-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide has a molecular weight of 444.94 g/mol, XLogP of 4.77, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-3-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide is sourced from PubChem (CID 56539834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).