N-(2-aminoethyl)-N-cyclopentyl-4-(trifluoromethyl)benzamide

C15H19F3N2O — CID 63754982

IUPACN-(2-aminoethyl)-N-cyclopentyl-4-(trifluoromethyl)benzamide
SMILESNCCN(C(=O)c1ccc(C(F)(F)F)cc1)C1CCCC1
InChIInChI=1S/C15H19F3N2O/c16-15(17,18)12-7-5-11(6-8-12)14(21)20(10-9-19)13-3-1-2-4-13/h5-8,13H,1-4,9-10,19H2
InChIKeyOIOLABNTZUKSSN-UHFFFAOYSA-N
MW300.32 g/mol
LogP3.05
Rot. Bonds4

About N-(2-aminoethyl)-N-cyclopentyl-4-(trifluoromethyl)benzamide

N-(2-aminoethyl)-N-cyclopentyl-4-(trifluoromethyl)benzamide (PubChem CID 63754982) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-cyclopentyl-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-cyclopentyl-4-(trifluoromethyl)benzamide
PubChem CID63754982
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC NameN-(2-aminoethyl)-N-cyclopentyl-4-(trifluoromethyl)benzamide
SMILESNCCN(C(=O)c1ccc(C(F)(F)F)cc1)C1CCCC1
InChIInChI=1S/C15H19F3N2O/c16-15(17,18)12-7-5-11(6-8-12)14(21)20(10-9-19)13-3-1-2-4-13/h5-8,13H,1-4,9-10,19H2
InChIKeyOIOLABNTZUKSSN-UHFFFAOYSA-N
XLogP3.05
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromoethyl)-N-cyclopentyl-4-(trifluoromethyl)benzamide
CID 80656410
N-(2-aminoethyl)-N-cyclopentyl-4-propan-2-ylbenzamide
CID 63755155
N-(2-aminoethyl)-N-cyclopentyl-3-fluoro-4-methylbenzamide
CID 63755708
N-(2-aminoethyl)-N-cyclobutyl-4-methylsulfonylbenzamide
CID 102874024
N-(3-aminopropyl)-N-cycloheptyl-4-hydroxybenzamide
CID 43136887
N-(2-aminoethyl)-N-cyclopentyl-3,5-dimethylbenzamide
CID 63755882
1-N,4-N-dicyclohexyl-1-N,4-N-bis(2-hydroxyethyl)benzene-1,4-dicarboxamide
CID 3317185
N-(2-aminoethyl)-N-cyclopentyl-3-methylbenzamide
CID 55241758
N'-cyclohexyl-N'-[[4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine
CID 63761871
N-cyclohexyl-N-ethyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 24895553
3-[cyclopentyl-(4-fluorobenzoyl)amino]propanoic acid
CID 82324866
N-[2-[2-hydroxyethyl(methyl)amino]cyclohexyl]-N-methyl-4-(trifluoromethyl)benzamide
CID 23349847

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-cyclopentyl-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(2-aminoethyl)-N-cyclopentyl-4-(trifluoromethyl)benzamide (CID 63754982) is N-(2-aminoethyl)-N-cyclopentyl-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2-aminoethyl)-N-cyclopentyl-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2-aminoethyl)-N-cyclopentyl-4-(trifluoromethyl)benzamide is NCCN(C(=O)c1ccc(C(F)(F)F)cc1)C1CCCC1.
What is the InChIKey of N-(2-aminoethyl)-N-cyclopentyl-4-(trifluoromethyl)benzamide?
The InChIKey is OIOLABNTZUKSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c16-15(17,18)12-7-5-11(6-8-12)14(21)20(10-9-19)13-3-1-2-4-13/h5-8,13H,1-4,9-10,19H2.
What are the key properties of N-(2-aminoethyl)-N-cyclopentyl-4-(trifluoromethyl)benzamide?
N-(2-aminoethyl)-N-cyclopentyl-4-(trifluoromethyl)benzamide has a molecular weight of 300.32 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-cyclopentyl-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 63754982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).