2,5-difluoro-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide

C18H17F5N4O — CID 91892415

IUPAC2,5-difluoro-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide
SMILESCc1nc(N2CCC(NC(=O)c3cc(F)ccc3F)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C18H17F5N4O/c1-10-24-15(18(21,22)23)9-16(25-10)27-6-4-12(5-7-27)26-17(28)13-8-11(19)2-3-14(13)20/h2-3,8-9,12H,4-7H2,1H3,(H,26,28)
InChIKeyPCLDWBZKPIWTQS-UHFFFAOYSA-N
MW400.35 g/mol
LogP3.48
Rot. Bonds3

About 2,5-difluoro-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide

2,5-difluoro-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide (PubChem CID 91892415) has the molecular formula C18H17F5N4O and a molecular weight of 400.35 g/mol. Its IUPAC name is 2,5-difluoro-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2,5-difluoro-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide
PubChem CID91892415
Molecular FormulaC18H17F5N4O
Molecular Weight400.35 g/mol
Exact Mass400.13
IUPAC Name2,5-difluoro-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide
SMILESCc1nc(N2CCC(NC(=O)c3cc(F)ccc3F)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C18H17F5N4O/c1-10-24-15(18(21,22)23)9-16(25-10)27-6-4-12(5-7-27)26-17(28)13-8-11(19)2-3-14(13)20/h2-3,8-9,12H,4-7H2,1H3,(H,26,28)
InChIKeyPCLDWBZKPIWTQS-UHFFFAOYSA-N
XLogP3.48
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.35
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide
CID 91809824
3-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]thiophene-2-carboxamide
CID 91631465
5-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazine-2-carboxamide
CID 91631451
5-cyclopropyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 91817801
N-[2-[[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 91631454
N-(4-methylcyclohexyl)-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91892478
(2R)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-phenoxypropanamide
CID 99754105
(E)-3-(furan-2-yl)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]prop-2-enamide
CID 91809810
N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-2-(6-oxopyridazin-1-yl)acetamide
CID 91631444
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-fluoro-1-benzofuran-2-carboxamide
CID 126783424
1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-3-carboxylic acid
CID 102549339
2-bromo-5-fluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide
CID 46466116

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide?
The IUPAC name of 2,5-difluoro-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide (CID 91892415) is 2,5-difluoro-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide.
What is the SMILES notation for 2,5-difluoro-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide?
The canonical SMILES for 2,5-difluoro-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide is Cc1nc(N2CCC(NC(=O)c3cc(F)ccc3F)CC2)cc(C(F)(F)F)n1.
What is the InChIKey of 2,5-difluoro-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide?
The InChIKey is PCLDWBZKPIWTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F5N4O/c1-10-24-15(18(21,22)23)9-16(25-10)27-6-4-12(5-7-27)26-17(28)13-8-11(19)2-3-14(13)20/h2-3,8-9,12H,4-7H2,1H3,(H,26,28).
What are the key properties of 2,5-difluoro-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide?
2,5-difluoro-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide has a molecular weight of 400.35 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide is sourced from PubChem (CID 91892415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).