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

C18H16FN3O2 — CID 86990106

IUPAC2-fluoro-4-methoxy-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2ccc(-n3cccn3)cc2)c(F)c1
InChIInChI=1S/C18H16FN3O2/c1-24-15-7-8-16(17(19)11-15)18(23)20-12-13-3-5-14(6-4-13)22-10-2-9-21-22/h2-11H,12H2,1H3,(H,20,23)
InChIKeyNQZQHTDWOLYAOO-UHFFFAOYSA-N
MW325.34 g/mol
LogP2.95
Rot. Bonds5

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

2-fluoro-4-methoxy-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide (PubChem CID 86990106) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is 2-fluoro-4-methoxy-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-4-methoxy-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
PubChem CID86990106
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Name2-fluoro-4-methoxy-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2ccc(-n3cccn3)cc2)c(F)c1
InChIInChI=1S/C18H16FN3O2/c1-24-15-7-8-16(17(19)11-15)18(23)20-12-13-3-5-14(6-4-13)22-10-2-9-21-22/h2-11H,12H2,1H3,(H,20,23)
InChIKeyNQZQHTDWOLYAOO-UHFFFAOYSA-N
XLogP2.95
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxybenzamide
CID 30691396
3-(2,4-dimethoxyphenyl)-1-phenyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazole-4-carboxamide
CID 55753924
methyl N-[4-[[(2-fluoro-4-methoxybenzoyl)amino]methyl]phenyl]carbamate
CID 87019008
4-fluoro-2-[(4-methoxybenzoyl)amino]-N-[(3-pyrazol-1-ylphenyl)methyl]benzamide
CID 86966161
4-bromo-2-fluoro-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 26081859
5-fluoro-2-methoxy-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 31122834
2-(4-fluorophenoxy)-2-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide
CID 86988869
1-[(3-methoxyphenyl)methyl]-2-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide
CID 111250486
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-fluoro-4-methoxybenzamide
CID 86981597
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-fluoro-4-methoxybenzamide
CID 103860981
2-fluoro-4-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 113227599
2-fluoro-4-methoxy-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 102882143

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methoxy-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide?
The IUPAC name of 2-fluoro-4-methoxy-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide (CID 86990106) is 2-fluoro-4-methoxy-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide.
What is the SMILES notation for 2-fluoro-4-methoxy-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide?
The canonical SMILES for 2-fluoro-4-methoxy-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide is COc1ccc(C(=O)NCc2ccc(-n3cccn3)cc2)c(F)c1.
What is the InChIKey of 2-fluoro-4-methoxy-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide?
The InChIKey is NQZQHTDWOLYAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-24-15-7-8-16(17(19)11-15)18(23)20-12-13-3-5-14(6-4-13)22-10-2-9-21-22/h2-11H,12H2,1H3,(H,20,23).
What are the key properties of 2-fluoro-4-methoxy-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide?
2-fluoro-4-methoxy-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide has a molecular weight of 325.34 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methoxy-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide is sourced from PubChem (CID 86990106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).