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

C17H23F3N2O — CID 75456837

IUPACN-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-2-(trifluoromethyl)benzamide
SMILESCN(C)CC1(CNC(=O)c2ccccc2C(F)(F)F)CCCC1
InChIInChI=1S/C17H23F3N2O/c1-22(2)12-16(9-5-6-10-16)11-21-15(23)13-7-3-4-8-14(13)17(18,19)20/h3-4,7-8H,5-6,9-12H2,1-2H3,(H,21,23)
InChIKeyXBXDSDIKWNEZNH-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.56
Rot. Bonds5

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

N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-2-(trifluoromethyl)benzamide (PubChem CID 75456837) has the molecular formula C17H23F3N2O and a molecular weight of 328.38 g/mol. Its IUPAC name is N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-2-(trifluoromethyl)benzamide
PubChem CID75456837
Molecular FormulaC17H23F3N2O
Molecular Weight328.38 g/mol
Exact Mass328.18
IUPAC NameN-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-2-(trifluoromethyl)benzamide
SMILESCN(C)CC1(CNC(=O)c2ccccc2C(F)(F)F)CCCC1
InChIInChI=1S/C17H23F3N2O/c1-22(2)12-16(9-5-6-10-16)11-21-15(23)13-7-3-4-8-14(13)17(18,19)20/h3-4,7-8H,5-6,9-12H2,1-2H3,(H,21,23)
InChIKeyXBXDSDIKWNEZNH-UHFFFAOYSA-N
XLogP3.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]-2-(trifluoromethyl)benzamide
CID 118788413
N-[[1-(aminomethyl)cyclopentyl]methyl]-2-tert-butylbenzamide
CID 115365396
N-(2-oxopropyl)-2-(trifluoromethyl)benzamide
CID 64997392
N-[(6-hydroxy-1,4-dithiepan-6-yl)methyl]-2-(trifluoromethyl)benzamide
CID 146080090
[1-(dimethylamino)cyclohexyl]-[2-(trifluoromethyl)phenyl]methanone
CID 79062257
N-hexadecyl-2-(trifluoromethyl)benzamide
CID 91726412
N-octadecyl-2-(trifluoromethyl)benzamide
CID 91726413
N-[2-(2-ethylbutanoylamino)ethyl]-2-(trifluoromethyl)benzamide
CID 108542412
2-fluoro-N-[(1-methylcyclopropyl)methyl]-3-(trifluoromethyl)benzamide
CID 103738888
2-fluoro-N-[(1-hydroxycyclobutyl)methyl]-3-(trifluoromethyl)benzamide
CID 111859437
N-methyl-2-(trifluoromethyl)benzamide
CID 4216112
N-[(1-aminocyclobutyl)methyl]-2-tert-butylbenzamide
CID 103352560

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-2-(trifluoromethyl)benzamide (CID 75456837) is N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-2-(trifluoromethyl)benzamide is CN(C)CC1(CNC(=O)c2ccccc2C(F)(F)F)CCCC1.
What is the InChIKey of N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-2-(trifluoromethyl)benzamide?
The InChIKey is XBXDSDIKWNEZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O/c1-22(2)12-16(9-5-6-10-16)11-21-15(23)13-7-3-4-8-14(13)17(18,19)20/h3-4,7-8H,5-6,9-12H2,1-2H3,(H,21,23).
What are the key properties of N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-2-(trifluoromethyl)benzamide?
N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-2-(trifluoromethyl)benzamide has a molecular weight of 328.38 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 75456837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).