N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[(3,5-difluorophenyl)methylamino]acetamide

C20H19ClF2N4O2 — CID 24815150

IUPACN-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[(3,5-difluorophenyl)methylamino]acetamide
SMILESCOc1ccc(NC(=O)CNCc2cc(F)cc(F)c2)cc1-c1c(Cl)cnn1C
InChIInChI=1S/C20H19ClF2N4O2/c1-27-20(17(21)10-25-27)16-8-15(3-4-18(16)29-2)26-19(28)11-24-9-12-5-13(22)7-14(23)6-12/h3-8,10,24H,9,11H2,1-2H3,(H,26,28)
InChIKeyYQAYGZZMOSWPDI-UHFFFAOYSA-N
MW420.85 g/mol
LogP3.76
Rot. Bonds7

About N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[(3,5-difluorophenyl)methylamino]acetamide

N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[(3,5-difluorophenyl)methylamino]acetamide (PubChem CID 24815150) has the molecular formula C20H19ClF2N4O2 and a molecular weight of 420.85 g/mol. Its IUPAC name is N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[(3,5-difluorophenyl)methylamino]acetamide.

Molecular Properties

Compound NameN-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[(3,5-difluorophenyl)methylamino]acetamide
PubChem CID24815150
Molecular FormulaC20H19ClF2N4O2
Molecular Weight420.85 g/mol
Exact Mass420.12
IUPAC NameN-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[(3,5-difluorophenyl)methylamino]acetamide
SMILESCOc1ccc(NC(=O)CNCc2cc(F)cc(F)c2)cc1-c1c(Cl)cnn1C
InChIInChI=1S/C20H19ClF2N4O2/c1-27-20(17(21)10-25-27)16-8-15(3-4-18(16)29-2)26-19(28)11-24-9-12-5-13(22)7-14(23)6-12/h3-8,10,24H,9,11H2,1-2H3,(H,26,28)
InChIKeyYQAYGZZMOSWPDI-UHFFFAOYSA-N
XLogP3.76
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.85
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[(3,5-difluorophenyl)methylamino]acetamide?
The IUPAC name of N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[(3,5-difluorophenyl)methylamino]acetamide (CID 24815150) is N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[(3,5-difluorophenyl)methylamino]acetamide.
What is the SMILES notation for N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[(3,5-difluorophenyl)methylamino]acetamide?
The canonical SMILES for N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[(3,5-difluorophenyl)methylamino]acetamide is COc1ccc(NC(=O)CNCc2cc(F)cc(F)c2)cc1-c1c(Cl)cnn1C.
What is the InChIKey of N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[(3,5-difluorophenyl)methylamino]acetamide?
The InChIKey is YQAYGZZMOSWPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClF2N4O2/c1-27-20(17(21)10-25-27)16-8-15(3-4-18(16)29-2)26-19(28)11-24-9-12-5-13(22)7-14(23)6-12/h3-8,10,24H,9,11H2,1-2H3,(H,26,28).
What are the key properties of N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[(3,5-difluorophenyl)methylamino]acetamide?
N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[(3,5-difluorophenyl)methylamino]acetamide has a molecular weight of 420.85 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[(3,5-difluorophenyl)methylamino]acetamide is sourced from PubChem (CID 24815150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).