2,4-difluoro-N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide

C18H12F5N3O — CID 35761998

IUPAC2,4-difluoro-N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide
SMILESCc1cc(C(F)(F)F)nn1-c1ccc(NC(=O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C18H12F5N3O/c1-10-8-16(18(21,22)23)25-26(10)13-5-3-12(4-6-13)24-17(27)14-7-2-11(19)9-15(14)20/h2-9H,1H3,(H,24,27)
InChIKeyDIUBHPJLDCBERA-UHFFFAOYSA-N
MW381.30 g/mol
LogP4.73
Rot. Bonds3

About 2,4-difluoro-N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide

2,4-difluoro-N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide (PubChem CID 35761998) has the molecular formula C18H12F5N3O and a molecular weight of 381.30 g/mol. Its IUPAC name is 2,4-difluoro-N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide
PubChem CID35761998
Molecular FormulaC18H12F5N3O
Molecular Weight381.30 g/mol
Exact Mass381.09
IUPAC Name2,4-difluoro-N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide
SMILESCc1cc(C(F)(F)F)nn1-c1ccc(NC(=O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C18H12F5N3O/c1-10-8-16(18(21,22)23)25-26(10)13-5-3-12(4-6-13)24-17(27)14-7-2-11(19)9-15(14)20/h2-9H,1H3,(H,24,27)
InChIKeyDIUBHPJLDCBERA-UHFFFAOYSA-N
XLogP4.73
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.30
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide (CID 35761998) is 2,4-difluoro-N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide is Cc1cc(C(F)(F)F)nn1-c1ccc(NC(=O)c2ccc(F)cc2F)cc1.
What is the InChIKey of 2,4-difluoro-N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide?
The InChIKey is DIUBHPJLDCBERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F5N3O/c1-10-8-16(18(21,22)23)25-26(10)13-5-3-12(4-6-13)24-17(27)14-7-2-11(19)9-15(14)20/h2-9H,1H3,(H,24,27).
What are the key properties of 2,4-difluoro-N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide?
2,4-difluoro-N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide has a molecular weight of 381.30 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide is sourced from PubChem (CID 35761998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).