2-fluoro-N,4-dimethyl-N-[3-methyl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]benzamide

C18H22F4N2O3 — CID 145388958

IUPAC2-fluoro-N,4-dimethyl-N-[3-methyl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]benzamide
SMILESCc1ccc(C(=O)N(C)C2CCN(C(=O)[C@@H](O)C(F)(F)F)CC2C)c(F)c1
InChIInChI=1S/C18H22F4N2O3/c1-10-4-5-12(13(19)8-10)16(26)23(3)14-6-7-24(9-11(14)2)17(27)15(25)18(20,21)22/h4-5,8,11,14-15,25H,6-7,9H2,1-3H3/t11?,14?,15-/m1/s1
InChIKeyBXJAPFLWKQXXNT-WDIPEOLASA-N
MW390.38 g/mol
LogP2.37
Rot. Bonds3

About 2-fluoro-N,4-dimethyl-N-[3-methyl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]benzamide

2-fluoro-N,4-dimethyl-N-[3-methyl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]benzamide (PubChem CID 145388958) has the molecular formula C18H22F4N2O3 and a molecular weight of 390.38 g/mol. Its IUPAC name is 2-fluoro-N,4-dimethyl-N-[3-methyl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N,4-dimethyl-N-[3-methyl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]benzamide
PubChem CID145388958
Molecular FormulaC18H22F4N2O3
Molecular Weight390.38 g/mol
Exact Mass390.16
IUPAC Name2-fluoro-N,4-dimethyl-N-[3-methyl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]benzamide
SMILESCc1ccc(C(=O)N(C)C2CCN(C(=O)[C@@H](O)C(F)(F)F)CC2C)c(F)c1
InChIInChI=1S/C18H22F4N2O3/c1-10-4-5-12(13(19)8-10)16(26)23(3)14-6-7-24(9-11(14)2)17(27)15(25)18(20,21)22/h4-5,8,11,14-15,25H,6-7,9H2,1-3H3/t11?,14?,15-/m1/s1
InChIKeyBXJAPFLWKQXXNT-WDIPEOLASA-N
XLogP2.37
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.38
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N,4-dimethyl-N-[3-methyl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]benzamide?
The IUPAC name of 2-fluoro-N,4-dimethyl-N-[3-methyl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]benzamide (CID 145388958) is 2-fluoro-N,4-dimethyl-N-[3-methyl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 2-fluoro-N,4-dimethyl-N-[3-methyl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]benzamide?
The canonical SMILES for 2-fluoro-N,4-dimethyl-N-[3-methyl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]benzamide is Cc1ccc(C(=O)N(C)C2CCN(C(=O)[C@@H](O)C(F)(F)F)CC2C)c(F)c1.
What is the InChIKey of 2-fluoro-N,4-dimethyl-N-[3-methyl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]benzamide?
The InChIKey is BXJAPFLWKQXXNT-WDIPEOLASA-N. The full InChI is InChI=1S/C18H22F4N2O3/c1-10-4-5-12(13(19)8-10)16(26)23(3)14-6-7-24(9-11(14)2)17(27)15(25)18(20,21)22/h4-5,8,11,14-15,25H,6-7,9H2,1-3H3/t11?,14?,15-/m1/s1.
What are the key properties of 2-fluoro-N,4-dimethyl-N-[3-methyl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]benzamide?
2-fluoro-N,4-dimethyl-N-[3-methyl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]benzamide has a molecular weight of 390.38 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N,4-dimethyl-N-[3-methyl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 145388958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).