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

C18H15BrFN3O — CID 4801105

IUPACN-(4-bromo-2-fluorophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)Nc3ccc(Br)cc3F)cc2)n1
InChIInChI=1S/C18H15BrFN3O/c1-11-9-12(2)23(22-11)15-6-3-13(4-7-15)18(24)21-17-8-5-14(19)10-16(17)20/h3-10H,1-2H3,(H,21,24)
InChIKeyKWNUESIMALUCPQ-UHFFFAOYSA-N
MW388.24 g/mol
LogP4.64
Rot. Bonds3

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

N-(4-bromo-2-fluorophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide (PubChem CID 4801105) has the molecular formula C18H15BrFN3O and a molecular weight of 388.24 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
PubChem CID4801105
Molecular FormulaC18H15BrFN3O
Molecular Weight388.24 g/mol
Exact Mass387.04
IUPAC NameN-(4-bromo-2-fluorophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)Nc3ccc(Br)cc3F)cc2)n1
InChIInChI=1S/C18H15BrFN3O/c1-11-9-12(2)23(22-11)15-6-3-13(4-7-15)18(24)21-17-8-5-14(19)10-16(17)20/h3-10H,1-2H3,(H,21,24)
InChIKeyKWNUESIMALUCPQ-UHFFFAOYSA-N
XLogP4.64
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.24
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide (CID 4801105) is N-(4-bromo-2-fluorophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide is Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(Br)cc3F)cc2)n1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide?
The InChIKey is KWNUESIMALUCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrFN3O/c1-11-9-12(2)23(22-11)15-6-3-13(4-7-15)18(24)21-17-8-5-14(19)10-16(17)20/h3-10H,1-2H3,(H,21,24).
What are the key properties of N-(4-bromo-2-fluorophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide?
N-(4-bromo-2-fluorophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide has a molecular weight of 388.24 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide is sourced from PubChem (CID 4801105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).