N-[cyano-(2,4-difluorophenyl)methyl]-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide

C19H11F5N4O — CID 56585394

IUPACN-[cyano-(2,4-difluorophenyl)methyl]-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
SMILESN#CC(NC(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1ccc(F)cc1F
InChIInChI=1S/C19H11F5N4O/c20-12-3-6-14(15(21)9-12)16(10-25)26-18(29)11-1-4-13(5-2-11)28-8-7-17(27-28)19(22,23)24/h1-9,16H,(H,26,29)
InChIKeySJHBJEHNNMGHBD-UHFFFAOYSA-N
MW406.31 g/mol
LogP4.16
Rot. Bonds4

About N-[cyano-(2,4-difluorophenyl)methyl]-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide

N-[cyano-(2,4-difluorophenyl)methyl]-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide (PubChem CID 56585394) has the molecular formula C19H11F5N4O and a molecular weight of 406.31 g/mol. Its IUPAC name is N-[cyano-(2,4-difluorophenyl)methyl]-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide.

Molecular Properties

Compound NameN-[cyano-(2,4-difluorophenyl)methyl]-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
PubChem CID56585394
Molecular FormulaC19H11F5N4O
Molecular Weight406.31 g/mol
Exact Mass406.09
IUPAC NameN-[cyano-(2,4-difluorophenyl)methyl]-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
SMILESN#CC(NC(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1ccc(F)cc1F
InChIInChI=1S/C19H11F5N4O/c20-12-3-6-14(15(21)9-12)16(10-25)26-18(29)11-1-4-13(5-2-11)28-8-7-17(27-28)19(22,23)24/h1-9,16H,(H,26,29)
InChIKeySJHBJEHNNMGHBD-UHFFFAOYSA-N
XLogP4.16
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.31
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[cyano-(2,4-difluorophenyl)methyl]-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide?
The IUPAC name of N-[cyano-(2,4-difluorophenyl)methyl]-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide (CID 56585394) is N-[cyano-(2,4-difluorophenyl)methyl]-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide.
What is the SMILES notation for N-[cyano-(2,4-difluorophenyl)methyl]-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide?
The canonical SMILES for N-[cyano-(2,4-difluorophenyl)methyl]-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide is N#CC(NC(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1ccc(F)cc1F.
What is the InChIKey of N-[cyano-(2,4-difluorophenyl)methyl]-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide?
The InChIKey is SJHBJEHNNMGHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F5N4O/c20-12-3-6-14(15(21)9-12)16(10-25)26-18(29)11-1-4-13(5-2-11)28-8-7-17(27-28)19(22,23)24/h1-9,16H,(H,26,29).
What are the key properties of N-[cyano-(2,4-difluorophenyl)methyl]-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide?
N-[cyano-(2,4-difluorophenyl)methyl]-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide has a molecular weight of 406.31 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano-(2,4-difluorophenyl)methyl]-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide is sourced from PubChem (CID 56585394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).