N-(5-fluoro-2-methylphenyl)-2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]acetamide

C19H18F2N4O — CID 46998204

IUPACN-(5-fluoro-2-methylphenyl)-2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]acetamide
SMILESCc1ccc(F)cc1NC(=O)CNCc1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C19H18F2N4O/c1-12-2-5-16(21)8-17(12)24-18(26)11-22-9-14-10-23-25-19(14)13-3-6-15(20)7-4-13/h2-8,10,22H,9,11H2,1H3,(H,23,25)(H,24,26)
InChIKeyPNSZSAXKPUUCPS-UHFFFAOYSA-N
MW356.38 g/mol
LogP3.39
Rot. Bonds6

About N-(5-fluoro-2-methylphenyl)-2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]acetamide

N-(5-fluoro-2-methylphenyl)-2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]acetamide (PubChem CID 46998204) has the molecular formula C19H18F2N4O and a molecular weight of 356.38 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]acetamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]acetamide
PubChem CID46998204
Molecular FormulaC19H18F2N4O
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC NameN-(5-fluoro-2-methylphenyl)-2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]acetamide
SMILESCc1ccc(F)cc1NC(=O)CNCc1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C19H18F2N4O/c1-12-2-5-16(21)8-17(12)24-18(26)11-22-9-14-10-23-25-19(14)13-3-6-15(20)7-4-13/h2-8,10,22H,9,11H2,1H3,(H,23,25)(H,24,26)
InChIKeyPNSZSAXKPUUCPS-UHFFFAOYSA-N
XLogP3.39
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]acetamide?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]acetamide (CID 46998204) is N-(5-fluoro-2-methylphenyl)-2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]acetamide.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]acetamide?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]acetamide is Cc1ccc(F)cc1NC(=O)CNCc1cn[nH]c1-c1ccc(F)cc1.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]acetamide?
The InChIKey is PNSZSAXKPUUCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O/c1-12-2-5-16(21)8-17(12)24-18(26)11-22-9-14-10-23-25-19(14)13-3-6-15(20)7-4-13/h2-8,10,22H,9,11H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-(5-fluoro-2-methylphenyl)-2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]acetamide?
N-(5-fluoro-2-methylphenyl)-2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]acetamide has a molecular weight of 356.38 g/mol, XLogP of 3.39, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylphenyl)-2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]acetamide is sourced from PubChem (CID 46998204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).