N-(4-fluoro-3-nitrophenyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide

C23H17FN4O3 — CID 24630815

IUPACN-(4-fluoro-3-nitrophenyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccccc1-c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C23H17FN4O3/c24-21-11-10-18(14-22(21)28(30)31)26-23(29)20-5-2-1-4-19(20)17-8-6-16(7-9-17)15-27-13-3-12-25-27/h1-14H,15H2,(H,26,29)
InChIKeyUFVCOVRZZJVWLZ-UHFFFAOYSA-N
MW416.41 g/mol
LogP4.90
Rot. Bonds6

About N-(4-fluoro-3-nitrophenyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide

N-(4-fluoro-3-nitrophenyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide (PubChem CID 24630815) has the molecular formula C23H17FN4O3 and a molecular weight of 416.41 g/mol. Its IUPAC name is N-(4-fluoro-3-nitrophenyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-(4-fluoro-3-nitrophenyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
PubChem CID24630815
Molecular FormulaC23H17FN4O3
Molecular Weight416.41 g/mol
Exact Mass416.13
IUPAC NameN-(4-fluoro-3-nitrophenyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccccc1-c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C23H17FN4O3/c24-21-11-10-18(14-22(21)28(30)31)26-23(29)20-5-2-1-4-19(20)17-8-6-16(7-9-17)15-27-13-3-12-25-27/h1-14H,15H2,(H,26,29)
InChIKeyUFVCOVRZZJVWLZ-UHFFFAOYSA-N
XLogP4.90
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.41
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-fluoro-4-methylphenyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 24630593
N-(4-methylsulfanylphenyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 46633143
N-(4-bromo-2-fluorophenyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 24630570
N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 24684483
N-[4-(diethylcarbamoyl)phenyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 24630760
2-[4-(pyrazol-1-ylmethyl)phenyl]-N-[4-(thiadiazol-4-yl)phenyl]benzamide
CID 55984553
N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 55635479
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 24630817
N-pentan-3-yl-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 24681023
N-(5-methyl-1,3-thiazol-2-yl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 24630691
1-[(3-chlorophenyl)methyl]-N-(4-fluoro-3-nitrophenyl)-2-oxopyridine-3-carboxamide
CID 7599112
1-benzyl-N-(4-fluoro-3-nitrophenyl)-6-oxopyridazine-3-carboxamide
CID 42161885

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-nitrophenyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide?
The IUPAC name of N-(4-fluoro-3-nitrophenyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide (CID 24630815) is N-(4-fluoro-3-nitrophenyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide.
What is the SMILES notation for N-(4-fluoro-3-nitrophenyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide?
The canonical SMILES for N-(4-fluoro-3-nitrophenyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide is O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccccc1-c1ccc(Cn2cccn2)cc1.
What is the InChIKey of N-(4-fluoro-3-nitrophenyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide?
The InChIKey is UFVCOVRZZJVWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN4O3/c24-21-11-10-18(14-22(21)28(30)31)26-23(29)20-5-2-1-4-19(20)17-8-6-16(7-9-17)15-27-13-3-12-25-27/h1-14H,15H2,(H,26,29).
What are the key properties of N-(4-fluoro-3-nitrophenyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide?
N-(4-fluoro-3-nitrophenyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide has a molecular weight of 416.41 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-nitrophenyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 24630815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).