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

C22H24ClFN4O2 — CID 56539424

IUPACN-(5-chloro-2-methoxyphenyl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C22H24ClFN4O2/c1-28(14-22(29)25-20-12-16(23)7-10-21(20)30-2)11-3-4-18-13-19(27-26-18)15-5-8-17(24)9-6-15/h5-10,12-13H,3-4,11,14H2,1-2H3,(H,25,29)(H,26,27)
InChIKeyKTXMFQNOYOCKCB-UHFFFAOYSA-N
MW430.91 g/mol
LogP4.38
Rot. Bonds9

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

N-(5-chloro-2-methoxyphenyl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetamide (PubChem CID 56539424) has the molecular formula C22H24ClFN4O2 and a molecular weight of 430.91 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetamide
PubChem CID56539424
Molecular FormulaC22H24ClFN4O2
Molecular Weight430.91 g/mol
Exact Mass430.16
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C22H24ClFN4O2/c1-28(14-22(29)25-20-12-16(23)7-10-21(20)30-2)11-3-4-18-13-19(27-26-18)15-5-8-17(24)9-6-15/h5-10,12-13H,3-4,11,14H2,1-2H3,(H,25,29)(H,26,27)
InChIKeyKTXMFQNOYOCKCB-UHFFFAOYSA-N
XLogP4.38
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.91
LogP ≤ 54.38
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)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetamide (CID 56539424) is N-(5-chloro-2-methoxyphenyl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetamide is COc1ccc(Cl)cc1NC(=O)CN(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetamide?
The InChIKey is KTXMFQNOYOCKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClFN4O2/c1-28(14-22(29)25-20-12-16(23)7-10-21(20)30-2)11-3-4-18-13-19(27-26-18)15-5-8-17(24)9-6-15/h5-10,12-13H,3-4,11,14H2,1-2H3,(H,25,29)(H,26,27).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetamide?
N-(5-chloro-2-methoxyphenyl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetamide has a molecular weight of 430.91 g/mol, XLogP of 4.38, 9 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)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetamide is sourced from PubChem (CID 56539424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).