2,6-dichloro-N-[(3S,4S)-3-fluoro-1-propan-2-ylpiperidin-4-yl]benzamide

C15H19Cl2FN2O — CID 155544255

IUPAC2,6-dichloro-N-[(3S,4S)-3-fluoro-1-propan-2-ylpiperidin-4-yl]benzamide
SMILESCC(C)N1CC[C@H](NC(=O)c2c(Cl)cccc2Cl)[C@@H](F)C1
InChIInChI=1S/C15H19Cl2FN2O/c1-9(2)20-7-6-13(12(18)8-20)19-15(21)14-10(16)4-3-5-11(14)17/h3-5,9,12-13H,6-8H2,1-2H3,(H,19,21)/t12-,13-/m0/s1
InChIKeyGTUHXXVOMDJMHH-STQMWFEESA-N
MW333.23 g/mol
LogP3.54
Rot. Bonds3

About 2,6-dichloro-N-[(3S,4S)-3-fluoro-1-propan-2-ylpiperidin-4-yl]benzamide

2,6-dichloro-N-[(3S,4S)-3-fluoro-1-propan-2-ylpiperidin-4-yl]benzamide (PubChem CID 155544255) has the molecular formula C15H19Cl2FN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is 2,6-dichloro-N-[(3S,4S)-3-fluoro-1-propan-2-ylpiperidin-4-yl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[(3S,4S)-3-fluoro-1-propan-2-ylpiperidin-4-yl]benzamide
PubChem CID155544255
Molecular FormulaC15H19Cl2FN2O
Molecular Weight333.23 g/mol
Exact Mass332.09
IUPAC Name2,6-dichloro-N-[(3S,4S)-3-fluoro-1-propan-2-ylpiperidin-4-yl]benzamide
SMILESCC(C)N1CC[C@H](NC(=O)c2c(Cl)cccc2Cl)[C@@H](F)C1
InChIInChI=1S/C15H19Cl2FN2O/c1-9(2)20-7-6-13(12(18)8-20)19-15(21)14-10(16)4-3-5-11(14)17/h3-5,9,12-13H,6-8H2,1-2H3,(H,19,21)/t12-,13-/m0/s1
InChIKeyGTUHXXVOMDJMHH-STQMWFEESA-N
XLogP3.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-2-chlorobenzamide
CID 347041
2-Chloro-N-phenethyl-benzamide
CID 692233
N-(1-benzyl-4-piperidinyl)-2,4-dichlorobenzamide
CID 1069892
1-(3-Chlorobenzoyl)piperazine
CID 1074765
1-(2-Chloro-benzoyl)-piperazine
CID 2060585
N-Benzyl-2-chloro-benzamide
CID 347073
N-methyl-SSR504734
CID 11704260
2,6-Dichloro-N-[1-(1-methylethyl)-4-piperidinyl]benzamide
CID 25236799
Benzamide derivative 11
CID 41306362
2,6-dichloro-N-(2-oxo-1H-pyridin-4-yl)benzamide
CID 59618445
Benzamide derivative 8
CID 118607347
4-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 744756

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[(3S,4S)-3-fluoro-1-propan-2-ylpiperidin-4-yl]benzamide?
The IUPAC name of 2,6-dichloro-N-[(3S,4S)-3-fluoro-1-propan-2-ylpiperidin-4-yl]benzamide (CID 155544255) is 2,6-dichloro-N-[(3S,4S)-3-fluoro-1-propan-2-ylpiperidin-4-yl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[(3S,4S)-3-fluoro-1-propan-2-ylpiperidin-4-yl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[(3S,4S)-3-fluoro-1-propan-2-ylpiperidin-4-yl]benzamide is CC(C)N1CC[C@H](NC(=O)c2c(Cl)cccc2Cl)[C@@H](F)C1.
What is the InChIKey of 2,6-dichloro-N-[(3S,4S)-3-fluoro-1-propan-2-ylpiperidin-4-yl]benzamide?
The InChIKey is GTUHXXVOMDJMHH-STQMWFEESA-N. The full InChI is InChI=1S/C15H19Cl2FN2O/c1-9(2)20-7-6-13(12(18)8-20)19-15(21)14-10(16)4-3-5-11(14)17/h3-5,9,12-13H,6-8H2,1-2H3,(H,19,21)/t12-,13-/m0/s1.
What are the key properties of 2,6-dichloro-N-[(3S,4S)-3-fluoro-1-propan-2-ylpiperidin-4-yl]benzamide?
2,6-dichloro-N-[(3S,4S)-3-fluoro-1-propan-2-ylpiperidin-4-yl]benzamide has a molecular weight of 333.23 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[(3S,4S)-3-fluoro-1-propan-2-ylpiperidin-4-yl]benzamide is sourced from PubChem (CID 155544255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).