N-(1-tert-butylpiperidin-4-yl)-2-chloro-4-(trifluoromethyl)benzamide

C17H22ClF3N2O — CID 155511239

IUPACN-(1-tert-butylpiperidin-4-yl)-2-chloro-4-(trifluoromethyl)benzamide
SMILESCC(C)(C)N1CCC(NC(=O)c2ccc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C17H22ClF3N2O/c1-16(2,3)23-8-6-12(7-9-23)22-15(24)13-5-4-11(10-14(13)18)17(19,20)21/h4-5,10,12H,6-9H2,1-3H3,(H,22,24)
InChIKeySLXIKWBDOABMIE-UHFFFAOYSA-N
MW362.82 g/mol
LogP4.35
Rot. Bonds2

About N-(1-tert-butylpiperidin-4-yl)-2-chloro-4-(trifluoromethyl)benzamide

N-(1-tert-butylpiperidin-4-yl)-2-chloro-4-(trifluoromethyl)benzamide (PubChem CID 155511239) has the molecular formula C17H22ClF3N2O and a molecular weight of 362.82 g/mol. Its IUPAC name is N-(1-tert-butylpiperidin-4-yl)-2-chloro-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(1-tert-butylpiperidin-4-yl)-2-chloro-4-(trifluoromethyl)benzamide
PubChem CID155511239
Molecular FormulaC17H22ClF3N2O
Molecular Weight362.82 g/mol
Exact Mass362.14
IUPAC NameN-(1-tert-butylpiperidin-4-yl)-2-chloro-4-(trifluoromethyl)benzamide
SMILESCC(C)(C)N1CCC(NC(=O)c2ccc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C17H22ClF3N2O/c1-16(2,3)23-8-6-12(7-9-23)22-15(24)13-5-4-11(10-14(13)18)17(19,20)21/h4-5,10,12H,6-9H2,1-3H3,(H,22,24)
InChIKeySLXIKWBDOABMIE-UHFFFAOYSA-N
XLogP4.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.82
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Ssr-504734
CID 9954540
Z944
CID 44540045
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
1-(3-Chlorobenzoyl)piperazine
CID 1074765
1-(2-Chloro-benzoyl)-piperazine
CID 2060585
N-methyl-SSR504734
CID 11704260
2,6-Dichloro-N-[1-(1-methylethyl)-4-piperidinyl]benzamide
CID 25236799
(2r)-2-Amino-3-(3-Chlorophenyl)-1-[4-(2,5-Difluorobenzoyl)piperazin-1-Yl]propan-1-One
CID 53249967
Benzamide derivative 8
CID 118607347
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[(3-phenylpropylamino)methyl]piperidin-1-yl]methanone
CID 132256764
4-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 744756

Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butylpiperidin-4-yl)-2-chloro-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(1-tert-butylpiperidin-4-yl)-2-chloro-4-(trifluoromethyl)benzamide (CID 155511239) is N-(1-tert-butylpiperidin-4-yl)-2-chloro-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(1-tert-butylpiperidin-4-yl)-2-chloro-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(1-tert-butylpiperidin-4-yl)-2-chloro-4-(trifluoromethyl)benzamide is CC(C)(C)N1CCC(NC(=O)c2ccc(C(F)(F)F)cc2Cl)CC1.
What is the InChIKey of N-(1-tert-butylpiperidin-4-yl)-2-chloro-4-(trifluoromethyl)benzamide?
The InChIKey is SLXIKWBDOABMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClF3N2O/c1-16(2,3)23-8-6-12(7-9-23)22-15(24)13-5-4-11(10-14(13)18)17(19,20)21/h4-5,10,12H,6-9H2,1-3H3,(H,22,24).
What are the key properties of N-(1-tert-butylpiperidin-4-yl)-2-chloro-4-(trifluoromethyl)benzamide?
N-(1-tert-butylpiperidin-4-yl)-2-chloro-4-(trifluoromethyl)benzamide has a molecular weight of 362.82 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butylpiperidin-4-yl)-2-chloro-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 155511239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).