N-[1-[(2-bromo-5-methoxyphenyl)methyl]pyrazol-3-yl]-2,6-difluorobenzamide

C18H14BrF2N3O2 — CID 46944785

IUPACN-[1-[(2-bromo-5-methoxyphenyl)methyl]pyrazol-3-yl]-2,6-difluorobenzamide
SMILESCOc1ccc(Br)c(Cn2ccc(NC(=O)c3c(F)cccc3F)n2)c1
InChIInChI=1S/C18H14BrF2N3O2/c1-26-12-5-6-13(19)11(9-12)10-24-8-7-16(23-24)22-18(25)17-14(20)3-2-4-15(17)21/h2-9H,10H2,1H3,(H,22,23,25)
InChIKeyZBBXWTKSCOVFOZ-UHFFFAOYSA-N
MW422.23 g/mol
LogP4.23
Rot. Bonds5

About N-[1-[(2-bromo-5-methoxyphenyl)methyl]pyrazol-3-yl]-2,6-difluorobenzamide

N-[1-[(2-bromo-5-methoxyphenyl)methyl]pyrazol-3-yl]-2,6-difluorobenzamide (PubChem CID 46944785) has the molecular formula C18H14BrF2N3O2 and a molecular weight of 422.23 g/mol. Its IUPAC name is N-[1-[(2-bromo-5-methoxyphenyl)methyl]pyrazol-3-yl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[1-[(2-bromo-5-methoxyphenyl)methyl]pyrazol-3-yl]-2,6-difluorobenzamide
PubChem CID46944785
Molecular FormulaC18H14BrF2N3O2
Molecular Weight422.23 g/mol
Exact Mass421.02
IUPAC NameN-[1-[(2-bromo-5-methoxyphenyl)methyl]pyrazol-3-yl]-2,6-difluorobenzamide
SMILESCOc1ccc(Br)c(Cn2ccc(NC(=O)c3c(F)cccc3F)n2)c1
InChIInChI=1S/C18H14BrF2N3O2/c1-26-12-5-6-13(19)11(9-12)10-24-8-7-16(23-24)22-18(25)17-14(20)3-2-4-15(17)21/h2-9H,10H2,1H3,(H,22,23,25)
InChIKeyZBBXWTKSCOVFOZ-UHFFFAOYSA-N
XLogP4.23
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.23
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-[(2-bromo-5-methoxyphenyl)methyl]pyrazol-3-yl]-2,6-difluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-bromo-5-methoxyphenyl)methyl]pyrazol-3-yl]-2,6-difluorobenzamide?
The IUPAC name of N-[1-[(2-bromo-5-methoxyphenyl)methyl]pyrazol-3-yl]-2,6-difluorobenzamide (CID 46944785) is N-[1-[(2-bromo-5-methoxyphenyl)methyl]pyrazol-3-yl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[1-[(2-bromo-5-methoxyphenyl)methyl]pyrazol-3-yl]-2,6-difluorobenzamide?
The canonical SMILES for N-[1-[(2-bromo-5-methoxyphenyl)methyl]pyrazol-3-yl]-2,6-difluorobenzamide is COc1ccc(Br)c(Cn2ccc(NC(=O)c3c(F)cccc3F)n2)c1.
What is the InChIKey of N-[1-[(2-bromo-5-methoxyphenyl)methyl]pyrazol-3-yl]-2,6-difluorobenzamide?
The InChIKey is ZBBXWTKSCOVFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrF2N3O2/c1-26-12-5-6-13(19)11(9-12)10-24-8-7-16(23-24)22-18(25)17-14(20)3-2-4-15(17)21/h2-9H,10H2,1H3,(H,22,23,25).
What are the key properties of N-[1-[(2-bromo-5-methoxyphenyl)methyl]pyrazol-3-yl]-2,6-difluorobenzamide?
N-[1-[(2-bromo-5-methoxyphenyl)methyl]pyrazol-3-yl]-2,6-difluorobenzamide has a molecular weight of 422.23 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-bromo-5-methoxyphenyl)methyl]pyrazol-3-yl]-2,6-difluorobenzamide is sourced from PubChem (CID 46944785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).