N-(5-acetamido-2-fluorophenyl)-4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzamide

C20H18BrFN4O2 — CID 55608701

IUPACN-(5-acetamido-2-fluorophenyl)-4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzamide
SMILESCC(=O)Nc1ccc(F)c(NC(=O)c2ccc(-n3nc(C)c(Br)c3C)cc2)c1
InChIInChI=1S/C20H18BrFN4O2/c1-11-19(21)12(2)26(25-11)16-7-4-14(5-8-16)20(28)24-18-10-15(23-13(3)27)6-9-17(18)22/h4-10H,1-3H3,(H,23,27)(H,24,28)
InChIKeyRUEGDIUUNUPZQJ-UHFFFAOYSA-N
MW445.29 g/mol
LogP4.60
Rot. Bonds4

About N-(5-acetamido-2-fluorophenyl)-4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzamide

N-(5-acetamido-2-fluorophenyl)-4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzamide (PubChem CID 55608701) has the molecular formula C20H18BrFN4O2 and a molecular weight of 445.29 g/mol. Its IUPAC name is N-(5-acetamido-2-fluorophenyl)-4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(5-acetamido-2-fluorophenyl)-4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzamide
PubChem CID55608701
Molecular FormulaC20H18BrFN4O2
Molecular Weight445.29 g/mol
Exact Mass444.06
IUPAC NameN-(5-acetamido-2-fluorophenyl)-4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzamide
SMILESCC(=O)Nc1ccc(F)c(NC(=O)c2ccc(-n3nc(C)c(Br)c3C)cc2)c1
InChIInChI=1S/C20H18BrFN4O2/c1-11-19(21)12(2)26(25-11)16-7-4-14(5-8-16)20(28)24-18-10-15(23-13(3)27)6-9-17(18)22/h4-10H,1-3H3,(H,23,27)(H,24,28)
InChIKeyRUEGDIUUNUPZQJ-UHFFFAOYSA-N
XLogP4.60
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.29
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-fluorophenyl)-4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzamide?
The IUPAC name of N-(5-acetamido-2-fluorophenyl)-4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzamide (CID 55608701) is N-(5-acetamido-2-fluorophenyl)-4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzamide.
What is the SMILES notation for N-(5-acetamido-2-fluorophenyl)-4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzamide?
The canonical SMILES for N-(5-acetamido-2-fluorophenyl)-4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzamide is CC(=O)Nc1ccc(F)c(NC(=O)c2ccc(-n3nc(C)c(Br)c3C)cc2)c1.
What is the InChIKey of N-(5-acetamido-2-fluorophenyl)-4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzamide?
The InChIKey is RUEGDIUUNUPZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrFN4O2/c1-11-19(21)12(2)26(25-11)16-7-4-14(5-8-16)20(28)24-18-10-15(23-13(3)27)6-9-17(18)22/h4-10H,1-3H3,(H,23,27)(H,24,28).
What are the key properties of N-(5-acetamido-2-fluorophenyl)-4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzamide?
N-(5-acetamido-2-fluorophenyl)-4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzamide has a molecular weight of 445.29 g/mol, XLogP of 4.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-fluorophenyl)-4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzamide is sourced from PubChem (CID 55608701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).