N-[(2-fluoro-6-pyrazol-1-ylphenyl)methyl]-3-hydroxy-2-methylbenzamide

C18H16FN3O2 — CID 167844314

IUPACN-[(2-fluoro-6-pyrazol-1-ylphenyl)methyl]-3-hydroxy-2-methylbenzamide
SMILESCc1c(O)cccc1C(=O)NCc1c(F)cccc1-n1cccn1
InChIInChI=1S/C18H16FN3O2/c1-12-13(5-2-8-17(12)23)18(24)20-11-14-15(19)6-3-7-16(14)22-10-4-9-21-22/h2-10,23H,11H2,1H3,(H,20,24)
InChIKeyIXQQZFSSVSYHMP-UHFFFAOYSA-N
MW325.34 g/mol
LogP2.96
Rot. Bonds4

About N-[(2-fluoro-6-pyrazol-1-ylphenyl)methyl]-3-hydroxy-2-methylbenzamide

N-[(2-fluoro-6-pyrazol-1-ylphenyl)methyl]-3-hydroxy-2-methylbenzamide (PubChem CID 167844314) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is N-[(2-fluoro-6-pyrazol-1-ylphenyl)methyl]-3-hydroxy-2-methylbenzamide.

Molecular Properties

Compound NameN-[(2-fluoro-6-pyrazol-1-ylphenyl)methyl]-3-hydroxy-2-methylbenzamide
PubChem CID167844314
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC NameN-[(2-fluoro-6-pyrazol-1-ylphenyl)methyl]-3-hydroxy-2-methylbenzamide
SMILESCc1c(O)cccc1C(=O)NCc1c(F)cccc1-n1cccn1
InChIInChI=1S/C18H16FN3O2/c1-12-13(5-2-8-17(12)23)18(24)20-11-14-15(19)6-3-7-16(14)22-10-4-9-21-22/h2-10,23H,11H2,1H3,(H,20,24)
InChIKeyIXQQZFSSVSYHMP-UHFFFAOYSA-N
XLogP2.96
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-dimethyl-3-pyrazol-1-ylbenzamide
CID 174583524
N-[(3-fluorophenyl)methyl]-3-hydroxy-2-methylbenzamide
CID 82795234
3-[(3-hydroxy-2-methylbenzoyl)amino]propanoic acid
CID 82827188
N-hexyl-2-pyrazol-1-ylbenzamide
CID 47213393
N-(3-bromopropyl)-3-hydroxy-2-methylbenzamide
CID 82830177
3-hydroxy-2-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 82829412
2,3-dimethyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 41412698
N-(furan-3-ylmethyl)-3-hydroxy-2-methylbenzamide
CID 113342680
3-hydroxy-2-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700649
N-[(3-phenoxyphenyl)methyl]-2-pyrazol-1-ylbenzamide
CID 166323321
1-(2-fluoro-6-pyrazol-1-ylphenyl)butan-2-amine
CID 114066098
3-hydroxy-N-[(2-methoxyphenyl)methyl]-2-methylbenzamide
CID 82786350

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-6-pyrazol-1-ylphenyl)methyl]-3-hydroxy-2-methylbenzamide?
The IUPAC name of N-[(2-fluoro-6-pyrazol-1-ylphenyl)methyl]-3-hydroxy-2-methylbenzamide (CID 167844314) is N-[(2-fluoro-6-pyrazol-1-ylphenyl)methyl]-3-hydroxy-2-methylbenzamide.
What is the SMILES notation for N-[(2-fluoro-6-pyrazol-1-ylphenyl)methyl]-3-hydroxy-2-methylbenzamide?
The canonical SMILES for N-[(2-fluoro-6-pyrazol-1-ylphenyl)methyl]-3-hydroxy-2-methylbenzamide is Cc1c(O)cccc1C(=O)NCc1c(F)cccc1-n1cccn1.
What is the InChIKey of N-[(2-fluoro-6-pyrazol-1-ylphenyl)methyl]-3-hydroxy-2-methylbenzamide?
The InChIKey is IXQQZFSSVSYHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-12-13(5-2-8-17(12)23)18(24)20-11-14-15(19)6-3-7-16(14)22-10-4-9-21-22/h2-10,23H,11H2,1H3,(H,20,24).
What are the key properties of N-[(2-fluoro-6-pyrazol-1-ylphenyl)methyl]-3-hydroxy-2-methylbenzamide?
N-[(2-fluoro-6-pyrazol-1-ylphenyl)methyl]-3-hydroxy-2-methylbenzamide has a molecular weight of 325.34 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-6-pyrazol-1-ylphenyl)methyl]-3-hydroxy-2-methylbenzamide is sourced from PubChem (CID 167844314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).