5-fluoro-2-methoxy-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide

C19H18FN3O2 — CID 31122834

IUPAC5-fluoro-2-methoxy-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
SMILESCOc1ccc(F)cc1C(=O)NCCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C19H18FN3O2/c1-25-18-8-5-15(20)13-17(18)19(24)21-11-9-14-3-6-16(7-4-14)23-12-2-10-22-23/h2-8,10,12-13H,9,11H2,1H3,(H,21,24)
InChIKeyPBULNRHNDOSBDK-UHFFFAOYSA-N
MW339.37 g/mol
LogP2.99
Rot. Bonds6

About 5-fluoro-2-methoxy-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide

5-fluoro-2-methoxy-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide (PubChem CID 31122834) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name5-fluoro-2-methoxy-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
PubChem CID31122834
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name5-fluoro-2-methoxy-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
SMILESCOc1ccc(F)cc1C(=O)NCCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C19H18FN3O2/c1-25-18-8-5-15(20)13-17(18)19(24)21-11-9-14-3-6-16(7-4-14)23-12-2-10-22-23/h2-8,10,12-13H,9,11H2,1H3,(H,21,24)
InChIKeyPBULNRHNDOSBDK-UHFFFAOYSA-N
XLogP2.99
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-N-[2-(4-fluorophenyl)ethyl]-2-methoxybenzamide
CID 31069458
4-bromo-3,5-dimethoxy-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 26081852
4-bromo-2-fluoro-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 26081859
5-fluoro-N-[2-(3-fluorophenyl)ethyl]-2-methoxybenzamide
CID 31116362
2-(difluoromethoxy)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 31002817
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915321
5-fluoro-2-methoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 31064262
2,3-dimethyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 41412698
4-(methoxymethyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 26081638
3-(2,4-dimethoxyphenyl)-1-phenyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide
CID 30101728
1-(3-ethoxy-4-methoxyphenyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 87003086
N-[2-(4-fluorophenyl)ethyl]-2-methoxy-5-nitrobenzamide
CID 9210501

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide?
The IUPAC name of 5-fluoro-2-methoxy-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide (CID 31122834) is 5-fluoro-2-methoxy-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide.
What is the SMILES notation for 5-fluoro-2-methoxy-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide?
The canonical SMILES for 5-fluoro-2-methoxy-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide is COc1ccc(F)cc1C(=O)NCCc1ccc(-n2cccn2)cc1.
What is the InChIKey of 5-fluoro-2-methoxy-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide?
The InChIKey is PBULNRHNDOSBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-25-18-8-5-15(20)13-17(18)19(24)21-11-9-14-3-6-16(7-4-14)23-12-2-10-22-23/h2-8,10,12-13H,9,11H2,1H3,(H,21,24).
What are the key properties of 5-fluoro-2-methoxy-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide?
5-fluoro-2-methoxy-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide has a molecular weight of 339.37 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxy-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide is sourced from PubChem (CID 31122834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).