2,5-difluoro-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]benzamide

C19H19F3N2O — CID 86965224

IUPAC2,5-difluoro-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]benzamide
SMILESCc1ccc(F)c(N2CCCC(NC(=O)c3cc(F)ccc3F)C2)c1
InChIInChI=1S/C19H19F3N2O/c1-12-4-6-17(22)18(9-12)24-8-2-3-14(11-24)23-19(25)15-10-13(20)5-7-16(15)21/h4-7,9-10,14H,2-3,8,11H2,1H3,(H,23,25)
InChIKeySPQUUZJLWLJFIS-UHFFFAOYSA-N
MW348.37 g/mol
LogP3.81
Rot. Bonds3

About 2,5-difluoro-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]benzamide

2,5-difluoro-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]benzamide (PubChem CID 86965224) has the molecular formula C19H19F3N2O and a molecular weight of 348.37 g/mol. Its IUPAC name is 2,5-difluoro-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]benzamide.

Molecular Properties

Compound Name2,5-difluoro-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]benzamide
PubChem CID86965224
Molecular FormulaC19H19F3N2O
Molecular Weight348.37 g/mol
Exact Mass348.14
IUPAC Name2,5-difluoro-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]benzamide
SMILESCc1ccc(F)c(N2CCCC(NC(=O)c3cc(F)ccc3F)C2)c1
InChIInChI=1S/C19H19F3N2O/c1-12-4-6-17(22)18(9-12)24-8-2-3-14(11-24)23-19(25)15-10-13(20)5-7-16(15)21/h4-7,9-10,14H,2-3,8,11H2,1H3,(H,23,25)
InChIKeySPQUUZJLWLJFIS-UHFFFAOYSA-N
XLogP3.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(3-fluorophenyl)acetamide
CID 86965219
1-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-(2-hydroxyethyl)urea
CID 111424850
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-methyl-3-nitrobenzamide
CID 86965404
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-hydroxy-5-(propanoylamino)benzamide
CID 86967206
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-methoxythiophene-2-carboxamide
CID 86965351
2-(5-fluoro-1H-indol-3-yl)-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]acetamide
CID 86965249
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111444175
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111428371
6-cyclopropyl-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 86965305
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-(4-fluorophenyl)sulfonylbutanamide
CID 86965350
N-[(3R)-1-(2-fluoro-5-methylphenyl)piperidin-3-yl]methanesulfonamide
CID 95629495
(3R)-N-[(3R)-1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-hydroxythiolane-3-carboxamide
CID 97330646

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]benzamide?
The IUPAC name of 2,5-difluoro-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]benzamide (CID 86965224) is 2,5-difluoro-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]benzamide.
What is the SMILES notation for 2,5-difluoro-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]benzamide?
The canonical SMILES for 2,5-difluoro-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]benzamide is Cc1ccc(F)c(N2CCCC(NC(=O)c3cc(F)ccc3F)C2)c1.
What is the InChIKey of 2,5-difluoro-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]benzamide?
The InChIKey is SPQUUZJLWLJFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O/c1-12-4-6-17(22)18(9-12)24-8-2-3-14(11-24)23-19(25)15-10-13(20)5-7-16(15)21/h4-7,9-10,14H,2-3,8,11H2,1H3,(H,23,25).
What are the key properties of 2,5-difluoro-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]benzamide?
2,5-difluoro-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]benzamide has a molecular weight of 348.37 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]benzamide is sourced from PubChem (CID 86965224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).