2-(4-fluorophenyl)-N-[4-(3-methylpyrazol-1-yl)phenyl]acetamide

C18H16FN3O — CID 35533172

IUPAC2-(4-fluorophenyl)-N-[4-(3-methylpyrazol-1-yl)phenyl]acetamide
SMILESCc1ccn(-c2ccc(NC(=O)Cc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C18H16FN3O/c1-13-10-11-22(21-13)17-8-6-16(7-9-17)20-18(23)12-14-2-4-15(19)5-3-14/h2-11H,12H2,1H3,(H,20,23)
InChIKeyUTWXKDBAHNSDQJ-UHFFFAOYSA-N
MW309.34 g/mol
LogP3.50
Rot. Bonds4

About 2-(4-fluorophenyl)-N-[4-(3-methylpyrazol-1-yl)phenyl]acetamide

2-(4-fluorophenyl)-N-[4-(3-methylpyrazol-1-yl)phenyl]acetamide (PubChem CID 35533172) has the molecular formula C18H16FN3O and a molecular weight of 309.34 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[4-(3-methylpyrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[4-(3-methylpyrazol-1-yl)phenyl]acetamide
PubChem CID35533172
Molecular FormulaC18H16FN3O
Molecular Weight309.34 g/mol
Exact Mass309.13
IUPAC Name2-(4-fluorophenyl)-N-[4-(3-methylpyrazol-1-yl)phenyl]acetamide
SMILESCc1ccn(-c2ccc(NC(=O)Cc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C18H16FN3O/c1-13-10-11-22(21-13)17-8-6-16(7-9-17)20-18(23)12-14-2-4-15(19)5-3-14/h2-11H,12H2,1H3,(H,20,23)
InChIKeyUTWXKDBAHNSDQJ-UHFFFAOYSA-N
XLogP3.50
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)-N-[4-(3-methylpyrazol-1-yl)phenyl]acetamide
CID 35590496
N-(4-fluorophenyl)-2-(4-methylphenyl)acetamide
CID 889367
N-(4-fluorophenyl)-3-(3-methylpyrazol-1-yl)propanamide
CID 46339386
3-(1-methylpyrazol-4-yl)-N-[4-(3-methylpyrazol-1-yl)phenyl]propanamide
CID 35536101
3-(4,5-dimethyl-1H-imidazol-2-yl)-N-[4-(3-methylpyrazol-1-yl)phenyl]propanamide
CID 166268614
N-[4-(3-methylpyrazol-1-yl)phenyl]prop-2-enamide
CID 166408337
4-fluoro-N-[4-(3-methylpyrazol-1-yl)phenyl]benzenesulfonamide
CID 35521119
N-[4-(diethylamino)phenyl]-2-(4-fluorophenyl)acetamide
CID 849192
N-(2-ethylpyrimidin-5-yl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide
CID 166231051
(3R)-N-(4-fluorophenyl)-3-(3-methylpyrazol-1-yl)butanamide
CID 92708178
N-(4-fluorophenyl)-2-pyridin-4-ylacetamide
CID 110697317
N-(4-chlorophenyl)-2-(4-fluorophenyl)acetamide
CID 7027780

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[4-(3-methylpyrazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[4-(3-methylpyrazol-1-yl)phenyl]acetamide (CID 35533172) is 2-(4-fluorophenyl)-N-[4-(3-methylpyrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[4-(3-methylpyrazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[4-(3-methylpyrazol-1-yl)phenyl]acetamide is Cc1ccn(-c2ccc(NC(=O)Cc3ccc(F)cc3)cc2)n1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[4-(3-methylpyrazol-1-yl)phenyl]acetamide?
The InChIKey is UTWXKDBAHNSDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O/c1-13-10-11-22(21-13)17-8-6-16(7-9-17)20-18(23)12-14-2-4-15(19)5-3-14/h2-11H,12H2,1H3,(H,20,23).
What are the key properties of 2-(4-fluorophenyl)-N-[4-(3-methylpyrazol-1-yl)phenyl]acetamide?
2-(4-fluorophenyl)-N-[4-(3-methylpyrazol-1-yl)phenyl]acetamide has a molecular weight of 309.34 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[4-(3-methylpyrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 35533172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).