2-chloro-N-[3-oxo-1-phenyl-3-[3-(trifluoromethyl)piperidin-1-yl]propyl]benzamide

C22H22ClF3N2O2 — CID 24684589

IUPAC2-chloro-N-[3-oxo-1-phenyl-3-[3-(trifluoromethyl)piperidin-1-yl]propyl]benzamide
SMILESO=C(NC(CC(=O)N1CCCC(C(F)(F)F)C1)c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C22H22ClF3N2O2/c23-18-11-5-4-10-17(18)21(30)27-19(15-7-2-1-3-8-15)13-20(29)28-12-6-9-16(14-28)22(24,25)26/h1-5,7-8,10-11,16,19H,6,9,12-14H2,(H,27,30)
InChIKeyKSKWTBIDBIRVHW-UHFFFAOYSA-N
MW438.88 g/mol
LogP5.00
Rot. Bonds5

About 2-chloro-N-[3-oxo-1-phenyl-3-[3-(trifluoromethyl)piperidin-1-yl]propyl]benzamide

2-chloro-N-[3-oxo-1-phenyl-3-[3-(trifluoromethyl)piperidin-1-yl]propyl]benzamide (PubChem CID 24684589) has the molecular formula C22H22ClF3N2O2 and a molecular weight of 438.88 g/mol. Its IUPAC name is 2-chloro-N-[3-oxo-1-phenyl-3-[3-(trifluoromethyl)piperidin-1-yl]propyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-oxo-1-phenyl-3-[3-(trifluoromethyl)piperidin-1-yl]propyl]benzamide
PubChem CID24684589
Molecular FormulaC22H22ClF3N2O2
Molecular Weight438.88 g/mol
Exact Mass438.13
IUPAC Name2-chloro-N-[3-oxo-1-phenyl-3-[3-(trifluoromethyl)piperidin-1-yl]propyl]benzamide
SMILESO=C(NC(CC(=O)N1CCCC(C(F)(F)F)C1)c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C22H22ClF3N2O2/c23-18-11-5-4-10-17(18)21(30)27-19(15-7-2-1-3-8-15)13-20(29)28-12-6-9-16(14-28)22(24,25)26/h1-5,7-8,10-11,16,19H,6,9,12-14H2,(H,27,30)
InChIKeyKSKWTBIDBIRVHW-UHFFFAOYSA-N
XLogP5.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.88
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Ssr-504734
CID 9954540
2-Chloro-N-phenethyl-benzamide
CID 692233
2,3-Dichloro-N-[2-(4,4-difluoro-piperidin-1-yl)-2-(4-fluoro-phenyl)-ethyl]-benzamide
CID 73442861
N-(1-benzyl-4-piperidinyl)-2,4-dichlorobenzamide
CID 1069892
Ssr-103800
CID 53316381
1-(2-Chloro-benzoyl)-piperazine
CID 2060585
N-methyl-SSR504734
CID 11704260
2,6-Dichloro-N-[1-(1-methylethyl)-4-piperidinyl]benzamide
CID 25236799
Benzamide derivative 11
CID 41306362
(2r)-2-Amino-3-(3-Chlorophenyl)-1-[4-(2,5-Difluorobenzoyl)piperazin-1-Yl]propan-1-One
CID 53249967
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[(3-phenylpropylamino)methyl]piperidin-1-yl]methanone
CID 132256764
2-Chloro-N-(2-phenyl-propyl)-benzamide
CID 3116854

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-oxo-1-phenyl-3-[3-(trifluoromethyl)piperidin-1-yl]propyl]benzamide?
The IUPAC name of 2-chloro-N-[3-oxo-1-phenyl-3-[3-(trifluoromethyl)piperidin-1-yl]propyl]benzamide (CID 24684589) is 2-chloro-N-[3-oxo-1-phenyl-3-[3-(trifluoromethyl)piperidin-1-yl]propyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-oxo-1-phenyl-3-[3-(trifluoromethyl)piperidin-1-yl]propyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-oxo-1-phenyl-3-[3-(trifluoromethyl)piperidin-1-yl]propyl]benzamide is O=C(NC(CC(=O)N1CCCC(C(F)(F)F)C1)c1ccccc1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[3-oxo-1-phenyl-3-[3-(trifluoromethyl)piperidin-1-yl]propyl]benzamide?
The InChIKey is KSKWTBIDBIRVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClF3N2O2/c23-18-11-5-4-10-17(18)21(30)27-19(15-7-2-1-3-8-15)13-20(29)28-12-6-9-16(14-28)22(24,25)26/h1-5,7-8,10-11,16,19H,6,9,12-14H2,(H,27,30).
What are the key properties of 2-chloro-N-[3-oxo-1-phenyl-3-[3-(trifluoromethyl)piperidin-1-yl]propyl]benzamide?
2-chloro-N-[3-oxo-1-phenyl-3-[3-(trifluoromethyl)piperidin-1-yl]propyl]benzamide has a molecular weight of 438.88 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-oxo-1-phenyl-3-[3-(trifluoromethyl)piperidin-1-yl]propyl]benzamide is sourced from PubChem (CID 24684589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).