2-chloro-N-methyl-N-[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide

C18H19ClF6N2O3 — CID 138595303

IUPAC2-chloro-N-methyl-N-[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide
SMILESCN(C(=O)c1ccc(C(F)(F)F)cc1Cl)C1CCN(C(=O)[C@@](C)(O)C(F)(F)F)CC1
InChIInChI=1S/C18H19ClF6N2O3/c1-16(30,18(23,24)25)15(29)27-7-5-11(6-8-27)26(2)14(28)12-4-3-10(9-13(12)19)17(20,21)22/h3-4,9,11,30H,5-8H2,1-2H3/t16-/m1/s1
InChIKeyVXGLSBXLOCFHIS-MRXNPFEDSA-N
MW460.80 g/mol
LogP3.74
Rot. Bonds3

About 2-chloro-N-methyl-N-[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide

2-chloro-N-methyl-N-[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide (PubChem CID 138595303) has the molecular formula C18H19ClF6N2O3 and a molecular weight of 460.80 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide
PubChem CID138595303
Molecular FormulaC18H19ClF6N2O3
Molecular Weight460.80 g/mol
Exact Mass460.10
IUPAC Name2-chloro-N-methyl-N-[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide
SMILESCN(C(=O)c1ccc(C(F)(F)F)cc1Cl)C1CCN(C(=O)[C@@](C)(O)C(F)(F)F)CC1
InChIInChI=1S/C18H19ClF6N2O3/c1-16(30,18(23,24)25)15(29)27-7-5-11(6-8-27)26(2)14(28)12-4-3-10(9-13(12)19)17(20,21)22/h3-4,9,11,30H,5-8H2,1-2H3/t16-/m1/s1
InChIKeyVXGLSBXLOCFHIS-MRXNPFEDSA-N
XLogP3.74
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.80
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-cyclopropyl-N-methyl-4-[4-[[1-(3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl)piperidin-4-yl]methyl]piperidin-1-yl]benzamide
CID 137355545
2-chloro-N,N-dimethyl-4-[4-[[1-[3,3,3-trifluoro-2-hydroxy-2-[3-(trifluoromethyl)phenyl]propanoyl]piperidin-4-yl]methyl]piperidin-1-yl]benzamide
CID 137355291
3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]piperidin-1-yl]propan-1-one
CID 118166849
4-amino-2-chloro-N-cyclopropyl-N-methylbenzamide;hydrochloride
CID 119722181
2-chloro-N,N-dimethyl-4-[4-[1-(3,3,3-trifluoro-2-methyl-2-phenylpropanoyl)piperidin-4-yl]piperidin-1-yl]benzamide
CID 135360676
2-chloro-4-fluoro-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 79110604
2-chloro-N,N-dimethyl-4-[4-[1-[(2R)-3,3,4,4,4-pentafluoro-2-hydroxy-2-phenylbutanoyl]piperidin-4-yl]piperidin-1-yl]benzamide
CID 135360512
3,3,3-trifluoro-2-hydroxy-2-methyl-1-(3-methylpyrrolidin-1-yl)propan-1-one
CID 143704226
4-tert-butyl-2-chloro-N,N-dimethylbenzamide
CID 69030370
2,4-dichloro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119444290
4-amino-2-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 61139107
2-chloro-N,N-dimethyl-4-[4-[[1-[(2R)-3,3,4,4,4-pentafluoro-2-hydroxy-2-phenylbutanoyl]piperidin-4-yl]methyl]piperidin-1-yl]benzamide
CID 137355297

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-chloro-N-methyl-N-[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide (CID 138595303) is 2-chloro-N-methyl-N-[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-chloro-N-methyl-N-[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-chloro-N-methyl-N-[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide is CN(C(=O)c1ccc(C(F)(F)F)cc1Cl)C1CCN(C(=O)[C@@](C)(O)C(F)(F)F)CC1.
What is the InChIKey of 2-chloro-N-methyl-N-[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide?
The InChIKey is VXGLSBXLOCFHIS-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H19ClF6N2O3/c1-16(30,18(23,24)25)15(29)27-7-5-11(6-8-27)26(2)14(28)12-4-3-10(9-13(12)19)17(20,21)22/h3-4,9,11,30H,5-8H2,1-2H3/t16-/m1/s1.
What are the key properties of 2-chloro-N-methyl-N-[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide?
2-chloro-N-methyl-N-[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide has a molecular weight of 460.80 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 138595303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).