N-[1-(cyclopropylmethyl)-5-phenyl-2-pyridinylidene]-2-fluoro-3-(trifluoromethyl)benzamide

C23H18F4N2O — CID 59866158

IUPACN-[1-(cyclopropylmethyl)-5-phenyl-2-pyridinylidene]-2-fluoro-3-(trifluoromethyl)benzamide
SMILESO=C(/N=c1\ccc(-c2ccccc2)cn1CC1CC1)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C23H18F4N2O/c24-21-18(7-4-8-19(21)23(25,26)27)22(30)28-20-12-11-17(16-5-2-1-3-6-16)14-29(20)13-15-9-10-15/h1-8,11-12,14-15H,9-10,13H2/b28-20+
InChIKeyFSXQKXWHONRZTJ-VFCFBJKWSA-N
MW414.40 g/mol
LogP5.46
Rot. Bonds4

About N-[1-(cyclopropylmethyl)-5-phenyl-2-pyridinylidene]-2-fluoro-3-(trifluoromethyl)benzamide

N-[1-(cyclopropylmethyl)-5-phenyl-2-pyridinylidene]-2-fluoro-3-(trifluoromethyl)benzamide (PubChem CID 59866158) has the molecular formula C23H18F4N2O and a molecular weight of 414.40 g/mol. Its IUPAC name is N-[1-(cyclopropylmethyl)-5-phenyl-2-pyridinylidene]-2-fluoro-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[1-(cyclopropylmethyl)-5-phenyl-2-pyridinylidene]-2-fluoro-3-(trifluoromethyl)benzamide
PubChem CID59866158
Molecular FormulaC23H18F4N2O
Molecular Weight414.40 g/mol
Exact Mass414.14
IUPAC NameN-[1-(cyclopropylmethyl)-5-phenyl-2-pyridinylidene]-2-fluoro-3-(trifluoromethyl)benzamide
SMILESO=C(/N=c1\ccc(-c2ccccc2)cn1CC1CC1)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C23H18F4N2O/c24-21-18(7-4-8-19(21)23(25,26)27)22(30)28-20-12-11-17(16-5-2-1-3-6-16)14-29(20)13-15-9-10-15/h1-8,11-12,14-15H,9-10,13H2/b28-20+
InChIKeyFSXQKXWHONRZTJ-VFCFBJKWSA-N
XLogP5.46
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.40
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropylmethyl)-5-phenyl-2-pyridinylidene]-2-fluoro-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[1-(cyclopropylmethyl)-5-phenyl-2-pyridinylidene]-2-fluoro-3-(trifluoromethyl)benzamide (CID 59866158) is N-[1-(cyclopropylmethyl)-5-phenyl-2-pyridinylidene]-2-fluoro-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[1-(cyclopropylmethyl)-5-phenyl-2-pyridinylidene]-2-fluoro-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[1-(cyclopropylmethyl)-5-phenyl-2-pyridinylidene]-2-fluoro-3-(trifluoromethyl)benzamide is O=C(/N=c1\ccc(-c2ccccc2)cn1CC1CC1)c1cccc(C(F)(F)F)c1F.
What is the InChIKey of N-[1-(cyclopropylmethyl)-5-phenyl-2-pyridinylidene]-2-fluoro-3-(trifluoromethyl)benzamide?
The InChIKey is FSXQKXWHONRZTJ-VFCFBJKWSA-N. The full InChI is InChI=1S/C23H18F4N2O/c24-21-18(7-4-8-19(21)23(25,26)27)22(30)28-20-12-11-17(16-5-2-1-3-6-16)14-29(20)13-15-9-10-15/h1-8,11-12,14-15H,9-10,13H2/b28-20+.
What are the key properties of N-[1-(cyclopropylmethyl)-5-phenyl-2-pyridinylidene]-2-fluoro-3-(trifluoromethyl)benzamide?
N-[1-(cyclopropylmethyl)-5-phenyl-2-pyridinylidene]-2-fluoro-3-(trifluoromethyl)benzamide has a molecular weight of 414.40 g/mol, XLogP of 5.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropylmethyl)-5-phenyl-2-pyridinylidene]-2-fluoro-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 59866158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).