5-cyclopropyl-2-fluoro-4-[[4-(fluoromethyl)-4-(4-fluorophenyl)piperidin-1-yl]methyl]benzamide

C23H25F3N2O — CID 118120619

IUPAC5-cyclopropyl-2-fluoro-4-[[4-(fluoromethyl)-4-(4-fluorophenyl)piperidin-1-yl]methyl]benzamide
SMILESNC(=O)c1cc(C2CC2)c(CN2CCC(CF)(c3ccc(F)cc3)CC2)cc1F
InChIInChI=1S/C23H25F3N2O/c24-14-23(17-3-5-18(25)6-4-17)7-9-28(10-8-23)13-16-11-21(26)20(22(27)29)12-19(16)15-1-2-15/h3-6,11-12,15H,1-2,7-10,13-14H2,(H2,27,29)
InChIKeyYSSYJYKNOJHSGW-UHFFFAOYSA-N
MW402.46 g/mol
LogP4.44
Rot. Bonds6

About 5-cyclopropyl-2-fluoro-4-[[4-(fluoromethyl)-4-(4-fluorophenyl)piperidin-1-yl]methyl]benzamide

5-cyclopropyl-2-fluoro-4-[[4-(fluoromethyl)-4-(4-fluorophenyl)piperidin-1-yl]methyl]benzamide (PubChem CID 118120619) has the molecular formula C23H25F3N2O and a molecular weight of 402.46 g/mol. Its IUPAC name is 5-cyclopropyl-2-fluoro-4-[[4-(fluoromethyl)-4-(4-fluorophenyl)piperidin-1-yl]methyl]benzamide.

Molecular Properties

Compound Name5-cyclopropyl-2-fluoro-4-[[4-(fluoromethyl)-4-(4-fluorophenyl)piperidin-1-yl]methyl]benzamide
PubChem CID118120619
Molecular FormulaC23H25F3N2O
Molecular Weight402.46 g/mol
Exact Mass402.19
IUPAC Name5-cyclopropyl-2-fluoro-4-[[4-(fluoromethyl)-4-(4-fluorophenyl)piperidin-1-yl]methyl]benzamide
SMILESNC(=O)c1cc(C2CC2)c(CN2CCC(CF)(c3ccc(F)cc3)CC2)cc1F
InChIInChI=1S/C23H25F3N2O/c24-14-23(17-3-5-18(25)6-4-17)7-9-28(10-8-23)13-16-11-21(26)20(22(27)29)12-19(16)15-1-2-15/h3-6,11-12,15H,1-2,7-10,13-14H2,(H2,27,29)
InChIKeyYSSYJYKNOJHSGW-UHFFFAOYSA-N
XLogP4.44
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-fluoro-4-[[4-(fluoromethyl)-4-(4-fluorophenyl)piperidin-1-yl]methyl]benzamide?
The IUPAC name of 5-cyclopropyl-2-fluoro-4-[[4-(fluoromethyl)-4-(4-fluorophenyl)piperidin-1-yl]methyl]benzamide (CID 118120619) is 5-cyclopropyl-2-fluoro-4-[[4-(fluoromethyl)-4-(4-fluorophenyl)piperidin-1-yl]methyl]benzamide.
What is the SMILES notation for 5-cyclopropyl-2-fluoro-4-[[4-(fluoromethyl)-4-(4-fluorophenyl)piperidin-1-yl]methyl]benzamide?
The canonical SMILES for 5-cyclopropyl-2-fluoro-4-[[4-(fluoromethyl)-4-(4-fluorophenyl)piperidin-1-yl]methyl]benzamide is NC(=O)c1cc(C2CC2)c(CN2CCC(CF)(c3ccc(F)cc3)CC2)cc1F.
What is the InChIKey of 5-cyclopropyl-2-fluoro-4-[[4-(fluoromethyl)-4-(4-fluorophenyl)piperidin-1-yl]methyl]benzamide?
The InChIKey is YSSYJYKNOJHSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N2O/c24-14-23(17-3-5-18(25)6-4-17)7-9-28(10-8-23)13-16-11-21(26)20(22(27)29)12-19(16)15-1-2-15/h3-6,11-12,15H,1-2,7-10,13-14H2,(H2,27,29).
What are the key properties of 5-cyclopropyl-2-fluoro-4-[[4-(fluoromethyl)-4-(4-fluorophenyl)piperidin-1-yl]methyl]benzamide?
5-cyclopropyl-2-fluoro-4-[[4-(fluoromethyl)-4-(4-fluorophenyl)piperidin-1-yl]methyl]benzamide has a molecular weight of 402.46 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-fluoro-4-[[4-(fluoromethyl)-4-(4-fluorophenyl)piperidin-1-yl]methyl]benzamide is sourced from PubChem (CID 118120619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).