N-[1-(2-anilinobenzoyl)piperidin-4-yl]-4-fluoro-N-methyl-2-(trifluoromethyl)benzamide

C27H25F4N3O2 — CID 152520884

IUPACN-[1-(2-anilinobenzoyl)piperidin-4-yl]-4-fluoro-N-methyl-2-(trifluoromethyl)benzamide
SMILESCN(C(=O)c1ccc(F)cc1C(F)(F)F)C1CCN(C(=O)c2ccccc2Nc2ccccc2)CC1
InChIInChI=1S/C27H25F4N3O2/c1-33(25(35)21-12-11-18(28)17-23(21)27(29,30)31)20-13-15-34(16-14-20)26(36)22-9-5-6-10-24(22)32-19-7-3-2-4-8-19/h2-12,17,20,32H,13-16H2,1H3
InChIKeyYHMNCGDXVJEIDT-UHFFFAOYSA-N
MW499.51 g/mol
LogP5.96
Rot. Bonds5

About N-[1-(2-anilinobenzoyl)piperidin-4-yl]-4-fluoro-N-methyl-2-(trifluoromethyl)benzamide

N-[1-(2-anilinobenzoyl)piperidin-4-yl]-4-fluoro-N-methyl-2-(trifluoromethyl)benzamide (PubChem CID 152520884) has the molecular formula C27H25F4N3O2 and a molecular weight of 499.51 g/mol. Its IUPAC name is N-[1-(2-anilinobenzoyl)piperidin-4-yl]-4-fluoro-N-methyl-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[1-(2-anilinobenzoyl)piperidin-4-yl]-4-fluoro-N-methyl-2-(trifluoromethyl)benzamide
PubChem CID152520884
Molecular FormulaC27H25F4N3O2
Molecular Weight499.51 g/mol
Exact Mass499.19
IUPAC NameN-[1-(2-anilinobenzoyl)piperidin-4-yl]-4-fluoro-N-methyl-2-(trifluoromethyl)benzamide
SMILESCN(C(=O)c1ccc(F)cc1C(F)(F)F)C1CCN(C(=O)c2ccccc2Nc2ccccc2)CC1
InChIInChI=1S/C27H25F4N3O2/c1-33(25(35)21-12-11-18(28)17-23(21)27(29,30)31)20-13-15-34(16-14-20)26(36)22-9-5-6-10-24(22)32-19-7-3-2-4-8-19/h2-12,17,20,32H,13-16H2,1H3
InChIKeyYHMNCGDXVJEIDT-UHFFFAOYSA-N
XLogP5.96
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.51
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-anilinobenzoyl)piperidin-4-yl]-4-fluoro-N-methyl-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[1-(2-anilinobenzoyl)piperidin-4-yl]-4-fluoro-N-methyl-2-(trifluoromethyl)benzamide (CID 152520884) is N-[1-(2-anilinobenzoyl)piperidin-4-yl]-4-fluoro-N-methyl-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[1-(2-anilinobenzoyl)piperidin-4-yl]-4-fluoro-N-methyl-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[1-(2-anilinobenzoyl)piperidin-4-yl]-4-fluoro-N-methyl-2-(trifluoromethyl)benzamide is CN(C(=O)c1ccc(F)cc1C(F)(F)F)C1CCN(C(=O)c2ccccc2Nc2ccccc2)CC1.
What is the InChIKey of N-[1-(2-anilinobenzoyl)piperidin-4-yl]-4-fluoro-N-methyl-2-(trifluoromethyl)benzamide?
The InChIKey is YHMNCGDXVJEIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F4N3O2/c1-33(25(35)21-12-11-18(28)17-23(21)27(29,30)31)20-13-15-34(16-14-20)26(36)22-9-5-6-10-24(22)32-19-7-3-2-4-8-19/h2-12,17,20,32H,13-16H2,1H3.
What are the key properties of N-[1-(2-anilinobenzoyl)piperidin-4-yl]-4-fluoro-N-methyl-2-(trifluoromethyl)benzamide?
N-[1-(2-anilinobenzoyl)piperidin-4-yl]-4-fluoro-N-methyl-2-(trifluoromethyl)benzamide has a molecular weight of 499.51 g/mol, XLogP of 5.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-anilinobenzoyl)piperidin-4-yl]-4-fluoro-N-methyl-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 152520884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).