2-chloro-N-[[2-[1-(dimethylamino)cyclopentyl]phenyl]methyl]-3-(trifluoromethyl)benzamide

C22H24ClF3N2O — CID 68562919

IUPAC2-chloro-N-[[2-[1-(dimethylamino)cyclopentyl]phenyl]methyl]-3-(trifluoromethyl)benzamide
SMILESCN(C)C1(c2ccccc2CNC(=O)c2cccc(C(F)(F)F)c2Cl)CCCC1
InChIInChI=1S/C22H24ClF3N2O/c1-28(2)21(12-5-6-13-21)17-10-4-3-8-15(17)14-27-20(29)16-9-7-11-18(19(16)23)22(24,25)26/h3-4,7-11H,5-6,12-14H2,1-2H3,(H,27,29)
InChIKeyYDXUDAKXIIDXAQ-UHFFFAOYSA-N
MW424.89 g/mol
LogP5.62
Rot. Bonds5

About 2-chloro-N-[[2-[1-(dimethylamino)cyclopentyl]phenyl]methyl]-3-(trifluoromethyl)benzamide

2-chloro-N-[[2-[1-(dimethylamino)cyclopentyl]phenyl]methyl]-3-(trifluoromethyl)benzamide (PubChem CID 68562919) has the molecular formula C22H24ClF3N2O and a molecular weight of 424.89 g/mol. Its IUPAC name is 2-chloro-N-[[2-[1-(dimethylamino)cyclopentyl]phenyl]methyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[[2-[1-(dimethylamino)cyclopentyl]phenyl]methyl]-3-(trifluoromethyl)benzamide
PubChem CID68562919
Molecular FormulaC22H24ClF3N2O
Molecular Weight424.89 g/mol
Exact Mass424.15
IUPAC Name2-chloro-N-[[2-[1-(dimethylamino)cyclopentyl]phenyl]methyl]-3-(trifluoromethyl)benzamide
SMILESCN(C)C1(c2ccccc2CNC(=O)c2cccc(C(F)(F)F)c2Cl)CCCC1
InChIInChI=1S/C22H24ClF3N2O/c1-28(2)21(12-5-6-13-21)17-10-4-3-8-15(17)14-27-20(29)16-9-7-11-18(19(16)23)22(24,25)26/h3-4,7-11H,5-6,12-14H2,1-2H3,(H,27,29)
InChIKeyYDXUDAKXIIDXAQ-UHFFFAOYSA-N
XLogP5.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.89
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-2-(trifluoromethyl)benzamide
CID 75456837
2-chloro-N-(2,2-diphenylethyl)-3-(trifluoromethyl)benzamide
CID 163353879
2-chloro-N-[[1-(dimethylamino)cyclopentyl]-thiophen-2-ylmethyl]-3-(trifluoromethyl)benzamide
CID 11597181
2-chloro-N-[[1-(ethylamino)cyclopentyl]-phenylmethyl]-3-(trifluoromethyl)benzamide
CID 69279489
N-[[2-[1-(azetidin-1-yl)cyclopentyl]phenyl]methyl]-2,4-bis(trifluoromethyl)benzamide
CID 87497281
2-iodo-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 60738967
1-phenyl-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 3527303
2,3-dichloro-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]benzamide
CID 10270238
2-chloro-N-[2-(2-methylpyrrolidin-1-yl)ethyl]-3-(trifluoromethyl)benzamide
CID 143551121
1-[2-[1-(dimethylamino)cyclopentyl]phenyl]ethanone
CID 115038480
1-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-(2-fluoroethyl)urea
CID 25119147
2-chloro-N-[(1,2-dimethylpiperidin-2-yl)-phenylmethyl]-3-(trifluoromethyl)benzamide
CID 68502805

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[2-[1-(dimethylamino)cyclopentyl]phenyl]methyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 2-chloro-N-[[2-[1-(dimethylamino)cyclopentyl]phenyl]methyl]-3-(trifluoromethyl)benzamide (CID 68562919) is 2-chloro-N-[[2-[1-(dimethylamino)cyclopentyl]phenyl]methyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-chloro-N-[[2-[1-(dimethylamino)cyclopentyl]phenyl]methyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 2-chloro-N-[[2-[1-(dimethylamino)cyclopentyl]phenyl]methyl]-3-(trifluoromethyl)benzamide is CN(C)C1(c2ccccc2CNC(=O)c2cccc(C(F)(F)F)c2Cl)CCCC1.
What is the InChIKey of 2-chloro-N-[[2-[1-(dimethylamino)cyclopentyl]phenyl]methyl]-3-(trifluoromethyl)benzamide?
The InChIKey is YDXUDAKXIIDXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClF3N2O/c1-28(2)21(12-5-6-13-21)17-10-4-3-8-15(17)14-27-20(29)16-9-7-11-18(19(16)23)22(24,25)26/h3-4,7-11H,5-6,12-14H2,1-2H3,(H,27,29).
What are the key properties of 2-chloro-N-[[2-[1-(dimethylamino)cyclopentyl]phenyl]methyl]-3-(trifluoromethyl)benzamide?
2-chloro-N-[[2-[1-(dimethylamino)cyclopentyl]phenyl]methyl]-3-(trifluoromethyl)benzamide has a molecular weight of 424.89 g/mol, XLogP of 5.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[2-[1-(dimethylamino)cyclopentyl]phenyl]methyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 68562919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).