2-chloro-N-[(1,2-dimethylpiperidin-2-yl)-phenylmethyl]-3-(trifluoromethyl)benzamide

C22H24ClF3N2O — CID 68502805

IUPAC2-chloro-N-[(1,2-dimethylpiperidin-2-yl)-phenylmethyl]-3-(trifluoromethyl)benzamide
SMILESCN1CCCCC1(C)C(NC(=O)c1cccc(C(F)(F)F)c1Cl)c1ccccc1
InChIInChI=1S/C22H24ClF3N2O/c1-21(13-6-7-14-28(21)2)19(15-9-4-3-5-10-15)27-20(29)16-11-8-12-17(18(16)23)22(24,25)26/h3-5,8-12,19H,6-7,13-14H2,1-2H3,(H,27,29)
InChIKeySVXILVUSOKIRGB-UHFFFAOYSA-N
MW424.89 g/mol
LogP5.70
Rot. Bonds4

About 2-chloro-N-[(1,2-dimethylpiperidin-2-yl)-phenylmethyl]-3-(trifluoromethyl)benzamide

2-chloro-N-[(1,2-dimethylpiperidin-2-yl)-phenylmethyl]-3-(trifluoromethyl)benzamide (PubChem CID 68502805) has the molecular formula C22H24ClF3N2O and a molecular weight of 424.89 g/mol. Its IUPAC name is 2-chloro-N-[(1,2-dimethylpiperidin-2-yl)-phenylmethyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[(1,2-dimethylpiperidin-2-yl)-phenylmethyl]-3-(trifluoromethyl)benzamide
PubChem CID68502805
Molecular FormulaC22H24ClF3N2O
Molecular Weight424.89 g/mol
Exact Mass424.15
IUPAC Name2-chloro-N-[(1,2-dimethylpiperidin-2-yl)-phenylmethyl]-3-(trifluoromethyl)benzamide
SMILESCN1CCCCC1(C)C(NC(=O)c1cccc(C(F)(F)F)c1Cl)c1ccccc1
InChIInChI=1S/C22H24ClF3N2O/c1-21(13-6-7-14-28(21)2)19(15-9-4-3-5-10-15)27-20(29)16-11-8-12-17(18(16)23)22(24,25)26/h3-5,8-12,19H,6-7,13-14H2,1-2H3,(H,27,29)
InChIKeySVXILVUSOKIRGB-UHFFFAOYSA-N
XLogP5.70
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.89
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[(R)-phenyl-(1,2,5-trimethylpiperidin-2-yl)methyl]-3-(trifluoromethyl)benzamide
CID 71039000
2-chloro-N-[[1-(ethylamino)cyclopentyl]-phenylmethyl]-3-(trifluoromethyl)benzamide
CID 69279489
2-chloro-N-[(S)-[(2R,6R)-1,6-dimethylpiperidin-2-yl]-phenylmethyl]-3-(trifluoromethyl)benzamide
CID 11998344
2,3-dichloro-N-[(S)-(5-ethyl-1,2-dimethylpiperidin-2-yl)-phenylmethyl]benzamide
CID 25207067
N-[(R)-[(3R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]-phenylmethyl]-2-chloro-3-(trifluoromethyl)benzamide;hydrochloride
CID 24762225
2-chloro-N-[(3-chlorophenyl)-(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)methyl]-3-(trifluoromethyl)benzamide
CID 46852313
2-chloro-N-[2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl(phenyl)methyl]-3-(trifluoromethyl)benzamide
CID 24984765
2-chloro-N-[[1-(dimethylamino)cyclopentyl]-thiophen-2-ylmethyl]-3-(trifluoromethyl)benzamide
CID 11597181
[3-[[[2-chloro-3-(trifluoromethyl)benzoyl]amino]-[(2S)-1-methylpiperidin-2-yl]methyl]phenyl] trifluoromethanesulfonate
CID 87727068
2-chloro-N-[(1-methylpiperidin-2-yl)-thiophen-3-ylmethyl]-3-(trifluoromethyl)benzamide
CID 11408387
2-chloro-3-(fluoromethyl)-N-[[1-(methylamino)cyclopentyl]-phenylmethyl]benzamide
CID 70326296
2-chloro-N-(2,2-diphenylethyl)-3-(trifluoromethyl)benzamide
CID 163353879

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1,2-dimethylpiperidin-2-yl)-phenylmethyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 2-chloro-N-[(1,2-dimethylpiperidin-2-yl)-phenylmethyl]-3-(trifluoromethyl)benzamide (CID 68502805) is 2-chloro-N-[(1,2-dimethylpiperidin-2-yl)-phenylmethyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-chloro-N-[(1,2-dimethylpiperidin-2-yl)-phenylmethyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 2-chloro-N-[(1,2-dimethylpiperidin-2-yl)-phenylmethyl]-3-(trifluoromethyl)benzamide is CN1CCCCC1(C)C(NC(=O)c1cccc(C(F)(F)F)c1Cl)c1ccccc1.
What is the InChIKey of 2-chloro-N-[(1,2-dimethylpiperidin-2-yl)-phenylmethyl]-3-(trifluoromethyl)benzamide?
The InChIKey is SVXILVUSOKIRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClF3N2O/c1-21(13-6-7-14-28(21)2)19(15-9-4-3-5-10-15)27-20(29)16-11-8-12-17(18(16)23)22(24,25)26/h3-5,8-12,19H,6-7,13-14H2,1-2H3,(H,27,29).
What are the key properties of 2-chloro-N-[(1,2-dimethylpiperidin-2-yl)-phenylmethyl]-3-(trifluoromethyl)benzamide?
2-chloro-N-[(1,2-dimethylpiperidin-2-yl)-phenylmethyl]-3-(trifluoromethyl)benzamide has a molecular weight of 424.89 g/mol, XLogP of 5.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1,2-dimethylpiperidin-2-yl)-phenylmethyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 68502805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).