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

C20H20ClFN4O2 — CID 24815396

IUPACN-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[(2-fluorophenyl)methylamino]acetamide
SMILESCOc1ccc(NC(=O)CNCc2ccccc2F)cc1-c1c(Cl)cnn1C
InChIInChI=1S/C20H20ClFN4O2/c1-26-20(16(21)11-24-26)15-9-14(7-8-18(15)28-2)25-19(27)12-23-10-13-5-3-4-6-17(13)22/h3-9,11,23H,10,12H2,1-2H3,(H,25,27)
InChIKeyOVCMJPNPYCEEDI-UHFFFAOYSA-N
MW402.86 g/mol
LogP3.62
Rot. Bonds7

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

N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[(2-fluorophenyl)methylamino]acetamide (PubChem CID 24815396) has the molecular formula C20H20ClFN4O2 and a molecular weight of 402.86 g/mol. Its IUPAC name is N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[(2-fluorophenyl)methylamino]acetamide.

Molecular Properties

Compound NameN-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[(2-fluorophenyl)methylamino]acetamide
PubChem CID24815396
Molecular FormulaC20H20ClFN4O2
Molecular Weight402.86 g/mol
Exact Mass402.13
IUPAC NameN-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[(2-fluorophenyl)methylamino]acetamide
SMILESCOc1ccc(NC(=O)CNCc2ccccc2F)cc1-c1c(Cl)cnn1C
InChIInChI=1S/C20H20ClFN4O2/c1-26-20(16(21)11-24-26)15-9-14(7-8-18(15)28-2)25-19(27)12-23-10-13-5-3-4-6-17(13)22/h3-9,11,23H,10,12H2,1-2H3,(H,25,27)
InChIKeyOVCMJPNPYCEEDI-UHFFFAOYSA-N
XLogP3.62
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.86
LogP ≤ 53.62
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-[(2-fluorophenyl)methylamino]acetamide?
The IUPAC name of N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[(2-fluorophenyl)methylamino]acetamide (CID 24815396) is N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[(2-fluorophenyl)methylamino]acetamide.
What is the SMILES notation for N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[(2-fluorophenyl)methylamino]acetamide?
The canonical SMILES for N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[(2-fluorophenyl)methylamino]acetamide is COc1ccc(NC(=O)CNCc2ccccc2F)cc1-c1c(Cl)cnn1C.
What is the InChIKey of N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[(2-fluorophenyl)methylamino]acetamide?
The InChIKey is OVCMJPNPYCEEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN4O2/c1-26-20(16(21)11-24-26)15-9-14(7-8-18(15)28-2)25-19(27)12-23-10-13-5-3-4-6-17(13)22/h3-9,11,23H,10,12H2,1-2H3,(H,25,27).
What are the key properties of N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[(2-fluorophenyl)methylamino]acetamide?
N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[(2-fluorophenyl)methylamino]acetamide has a molecular weight of 402.86 g/mol, XLogP of 3.62, 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-[(2-fluorophenyl)methylamino]acetamide is sourced from PubChem (CID 24815396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).