2-chloro-N-(1-propan-2-ylpiperidin-4-yl)-4-(trifluoromethyl)benzamide

C16H20ClF3N2O — CID 155557587

IUPAC2-chloro-N-(1-propan-2-ylpiperidin-4-yl)-4-(trifluoromethyl)benzamide
SMILESCC(C)N1CCC(NC(=O)c2ccc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C16H20ClF3N2O/c1-10(2)22-7-5-12(6-8-22)21-15(23)13-4-3-11(9-14(13)17)16(18,19)20/h3-4,9-10,12H,5-8H2,1-2H3,(H,21,23)
InChIKeyVPGSUXFWMCSIBW-UHFFFAOYSA-N
MW348.80 g/mol
LogP3.96
Rot. Bonds3

About 2-chloro-N-(1-propan-2-ylpiperidin-4-yl)-4-(trifluoromethyl)benzamide

2-chloro-N-(1-propan-2-ylpiperidin-4-yl)-4-(trifluoromethyl)benzamide (PubChem CID 155557587) has the molecular formula C16H20ClF3N2O and a molecular weight of 348.80 g/mol. Its IUPAC name is 2-chloro-N-(1-propan-2-ylpiperidin-4-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(1-propan-2-ylpiperidin-4-yl)-4-(trifluoromethyl)benzamide
PubChem CID155557587
Molecular FormulaC16H20ClF3N2O
Molecular Weight348.80 g/mol
Exact Mass348.12
IUPAC Name2-chloro-N-(1-propan-2-ylpiperidin-4-yl)-4-(trifluoromethyl)benzamide
SMILESCC(C)N1CCC(NC(=O)c2ccc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C16H20ClF3N2O/c1-10(2)22-7-5-12(6-8-22)21-15(23)13-4-3-11(9-14(13)17)16(18,19)20/h3-4,9-10,12H,5-8H2,1-2H3,(H,21,23)
InChIKeyVPGSUXFWMCSIBW-UHFFFAOYSA-N
XLogP3.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.80
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Ssr-504734
CID 9954540
N-butyl-2-chlorobenzamide
CID 347041
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
Benzamide derivative 11
CID 41306362
(2r)-2-Amino-3-(3-Chlorophenyl)-1-[4-(2,5-Difluorobenzoyl)piperazin-1-Yl]propan-1-One
CID 53249967
Benzamide derivative 8
CID 118607347

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-propan-2-ylpiperidin-4-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-chloro-N-(1-propan-2-ylpiperidin-4-yl)-4-(trifluoromethyl)benzamide (CID 155557587) is 2-chloro-N-(1-propan-2-ylpiperidin-4-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-chloro-N-(1-propan-2-ylpiperidin-4-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-chloro-N-(1-propan-2-ylpiperidin-4-yl)-4-(trifluoromethyl)benzamide is CC(C)N1CCC(NC(=O)c2ccc(C(F)(F)F)cc2Cl)CC1.
What is the InChIKey of 2-chloro-N-(1-propan-2-ylpiperidin-4-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is VPGSUXFWMCSIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClF3N2O/c1-10(2)22-7-5-12(6-8-22)21-15(23)13-4-3-11(9-14(13)17)16(18,19)20/h3-4,9-10,12H,5-8H2,1-2H3,(H,21,23).
What are the key properties of 2-chloro-N-(1-propan-2-ylpiperidin-4-yl)-4-(trifluoromethyl)benzamide?
2-chloro-N-(1-propan-2-ylpiperidin-4-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 348.80 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-propan-2-ylpiperidin-4-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 155557587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).