N-(4-fluorophenyl)-2-[(1-methylpyrazol-3-yl)amino]-2-phenylacetamide

C18H17FN4O — CID 17489503

IUPACN-(4-fluorophenyl)-2-[(1-methylpyrazol-3-yl)amino]-2-phenylacetamide
SMILESCn1ccc(NC(C(=O)Nc2ccc(F)cc2)c2ccccc2)n1
InChIInChI=1S/C18H17FN4O/c1-23-12-11-16(22-23)21-17(13-5-3-2-4-6-13)18(24)20-15-9-7-14(19)8-10-15/h2-12,17H,1H3,(H,20,24)(H,21,22)
InChIKeyZDGQGJCSMHKQLA-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.35
Rot. Bonds5

About N-(4-fluorophenyl)-2-[(1-methylpyrazol-3-yl)amino]-2-phenylacetamide

N-(4-fluorophenyl)-2-[(1-methylpyrazol-3-yl)amino]-2-phenylacetamide (PubChem CID 17489503) has the molecular formula C18H17FN4O and a molecular weight of 324.36 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[(1-methylpyrazol-3-yl)amino]-2-phenylacetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[(1-methylpyrazol-3-yl)amino]-2-phenylacetamide
PubChem CID17489503
Molecular FormulaC18H17FN4O
Molecular Weight324.36 g/mol
Exact Mass324.14
IUPAC NameN-(4-fluorophenyl)-2-[(1-methylpyrazol-3-yl)amino]-2-phenylacetamide
SMILESCn1ccc(NC(C(=O)Nc2ccc(F)cc2)c2ccccc2)n1
InChIInChI=1S/C18H17FN4O/c1-23-12-11-16(22-23)21-17(13-5-3-2-4-6-13)18(24)20-15-9-7-14(19)8-10-15/h2-12,17H,1H3,(H,20,24)(H,21,22)
InChIKeyZDGQGJCSMHKQLA-UHFFFAOYSA-N
XLogP3.35
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[(1-methylpyrazol-3-yl)amino]-2-phenylacetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[(1-methylpyrazol-3-yl)amino]-2-phenylacetamide (CID 17489503) is N-(4-fluorophenyl)-2-[(1-methylpyrazol-3-yl)amino]-2-phenylacetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[(1-methylpyrazol-3-yl)amino]-2-phenylacetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[(1-methylpyrazol-3-yl)amino]-2-phenylacetamide is Cn1ccc(NC(C(=O)Nc2ccc(F)cc2)c2ccccc2)n1.
What is the InChIKey of N-(4-fluorophenyl)-2-[(1-methylpyrazol-3-yl)amino]-2-phenylacetamide?
The InChIKey is ZDGQGJCSMHKQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O/c1-23-12-11-16(22-23)21-17(13-5-3-2-4-6-13)18(24)20-15-9-7-14(19)8-10-15/h2-12,17H,1H3,(H,20,24)(H,21,22).
What are the key properties of N-(4-fluorophenyl)-2-[(1-methylpyrazol-3-yl)amino]-2-phenylacetamide?
N-(4-fluorophenyl)-2-[(1-methylpyrazol-3-yl)amino]-2-phenylacetamide has a molecular weight of 324.36 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[(1-methylpyrazol-3-yl)amino]-2-phenylacetamide is sourced from PubChem (CID 17489503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).