2-chloro-N-[[1-(ethylamino)cyclopentyl]-phenylmethyl]-3-(trifluoromethyl)benzamide

C22H24ClF3N2O — CID 69279489

IUPAC2-chloro-N-[[1-(ethylamino)cyclopentyl]-phenylmethyl]-3-(trifluoromethyl)benzamide
SMILESCCNC1(C(NC(=O)c2cccc(C(F)(F)F)c2Cl)c2ccccc2)CCCC1
InChIInChI=1S/C22H24ClF3N2O/c1-2-27-21(13-6-7-14-21)19(15-9-4-3-5-10-15)28-20(29)16-11-8-12-17(18(16)23)22(24,25)26/h3-5,8-12,19,27H,2,6-7,13-14H2,1H3,(H,28,29)
InChIKeyRWMCIUOPHLOLLZ-UHFFFAOYSA-N
MW424.89 g/mol
LogP5.75
Rot. Bonds6

About 2-chloro-N-[[1-(ethylamino)cyclopentyl]-phenylmethyl]-3-(trifluoromethyl)benzamide

2-chloro-N-[[1-(ethylamino)cyclopentyl]-phenylmethyl]-3-(trifluoromethyl)benzamide (PubChem CID 69279489) has the molecular formula C22H24ClF3N2O and a molecular weight of 424.89 g/mol. Its IUPAC name is 2-chloro-N-[[1-(ethylamino)cyclopentyl]-phenylmethyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[[1-(ethylamino)cyclopentyl]-phenylmethyl]-3-(trifluoromethyl)benzamide
PubChem CID69279489
Molecular FormulaC22H24ClF3N2O
Molecular Weight424.89 g/mol
Exact Mass424.15
IUPAC Name2-chloro-N-[[1-(ethylamino)cyclopentyl]-phenylmethyl]-3-(trifluoromethyl)benzamide
SMILESCCNC1(C(NC(=O)c2cccc(C(F)(F)F)c2Cl)c2ccccc2)CCCC1
InChIInChI=1S/C22H24ClF3N2O/c1-2-27-21(13-6-7-14-21)19(15-9-4-3-5-10-15)28-20(29)16-11-8-12-17(18(16)23)22(24,25)26/h3-5,8-12,19,27H,2,6-7,13-14H2,1H3,(H,28,29)
InChIKeyRWMCIUOPHLOLLZ-UHFFFAOYSA-N
XLogP5.75
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.89
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[(1,2-dimethylpiperidin-2-yl)-phenylmethyl]-3-(trifluoromethyl)benzamide
CID 68502805
2-chloro-3-(fluoromethyl)-N-[[1-(methylamino)cyclopentyl]-phenylmethyl]benzamide
CID 70326296
2-chloro-N-[[1-(dimethylamino)cyclopentyl]-thiophen-2-ylmethyl]-3-(trifluoromethyl)benzamide
CID 11597181
2-chloro-N-[(R)-phenyl-(1,2,5-trimethylpiperidin-2-yl)methyl]-3-(trifluoromethyl)benzamide
CID 71039000
2-chloro-N-(2,2-diphenylethyl)-3-(trifluoromethyl)benzamide
CID 163353879
2-chloro-N-[(S)-[(2R,6R)-1,6-dimethylpiperidin-2-yl]-phenylmethyl]-3-(trifluoromethyl)benzamide
CID 11998344
2-chloro-N-[(S)-[(2S)-1,1-dimethylpiperidin-1-ium-2-yl]-phenylmethyl]-3-(trifluoromethyl)benzamide
CID 69104903
2-chloro-N-[(S)-[(2S)-2-prop-2-enylpiperidin-2-yl]-(3-pyrimidin-5-ylphenyl)methyl]-3-(trifluoromethyl)benzamide
CID 69163111
N-[2-azabicyclo[2.1.1]hexan-1-yl-(4-fluorophenyl)methyl]-2-chloro-3-(trifluoromethyl)benzamide
CID 46862992
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-[(R)-(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-(4-propylsulfonylphenyl)methyl]-3-(trifluoromethyl)benzamide
CID 68756398

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[1-(ethylamino)cyclopentyl]-phenylmethyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 2-chloro-N-[[1-(ethylamino)cyclopentyl]-phenylmethyl]-3-(trifluoromethyl)benzamide (CID 69279489) is 2-chloro-N-[[1-(ethylamino)cyclopentyl]-phenylmethyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-chloro-N-[[1-(ethylamino)cyclopentyl]-phenylmethyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 2-chloro-N-[[1-(ethylamino)cyclopentyl]-phenylmethyl]-3-(trifluoromethyl)benzamide is CCNC1(C(NC(=O)c2cccc(C(F)(F)F)c2Cl)c2ccccc2)CCCC1.
What is the InChIKey of 2-chloro-N-[[1-(ethylamino)cyclopentyl]-phenylmethyl]-3-(trifluoromethyl)benzamide?
The InChIKey is RWMCIUOPHLOLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClF3N2O/c1-2-27-21(13-6-7-14-21)19(15-9-4-3-5-10-15)28-20(29)16-11-8-12-17(18(16)23)22(24,25)26/h3-5,8-12,19,27H,2,6-7,13-14H2,1H3,(H,28,29).
What are the key properties of 2-chloro-N-[[1-(ethylamino)cyclopentyl]-phenylmethyl]-3-(trifluoromethyl)benzamide?
2-chloro-N-[[1-(ethylamino)cyclopentyl]-phenylmethyl]-3-(trifluoromethyl)benzamide has a molecular weight of 424.89 g/mol, XLogP of 5.75, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[1-(ethylamino)cyclopentyl]-phenylmethyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 69279489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).