N-(2-amino-1-cyclopentylethyl)-2-(trifluoromethyl)benzamide

C15H19F3N2O — CID 106737225

IUPACN-(2-amino-1-cyclopentylethyl)-2-(trifluoromethyl)benzamide
SMILESNCC(NC(=O)c1ccccc1C(F)(F)F)C1CCCC1
InChIInChI=1S/C15H19F3N2O/c16-15(17,18)12-8-4-3-7-11(12)14(21)20-13(9-19)10-5-1-2-6-10/h3-4,7-8,10,13H,1-2,5-6,9,19H2,(H,20,21)
InChIKeyHNDIAAPKECDQFQ-UHFFFAOYSA-N
MW300.32 g/mol
LogP2.95
Rot. Bonds4

About N-(2-amino-1-cyclopentylethyl)-2-(trifluoromethyl)benzamide

N-(2-amino-1-cyclopentylethyl)-2-(trifluoromethyl)benzamide (PubChem CID 106737225) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is N-(2-amino-1-cyclopentylethyl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopentylethyl)-2-(trifluoromethyl)benzamide
PubChem CID106737225
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC NameN-(2-amino-1-cyclopentylethyl)-2-(trifluoromethyl)benzamide
SMILESNCC(NC(=O)c1ccccc1C(F)(F)F)C1CCCC1
InChIInChI=1S/C15H19F3N2O/c16-15(17,18)12-8-4-3-7-11(12)14(21)20-13(9-19)10-5-1-2-6-10/h3-4,7-8,10,13H,1-2,5-6,9,19H2,(H,20,21)
InChIKeyHNDIAAPKECDQFQ-UHFFFAOYSA-N
XLogP2.95
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-2-(trifluoromethyl)benzamide;hydrochloride
CID 86813170
N-(2-amino-1-cyclohexylethyl)-2-chlorobenzamide
CID 81487183
N-(2-amino-1-cyclohexylethyl)-2-iodobenzamide
CID 81487660
N-(2-amino-1-cyclohexylethyl)-2-methylbenzamide;hydrochloride
CID 119588952
N-(2-amino-1-cyclopropylethyl)-2-fluorobenzamide
CID 65188796
N-(2-amino-1-cyclohexylethyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride
CID 119592024
1-cyclopentyl-N-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 106738164
N-(2-amino-1-cyclopropylethyl)-2-chlorobenzamide
CID 65188374
N-(2-amino-1-cyclopentylethyl)-3-bromo-2-chlorobenzamide
CID 106737470
N-(2-amino-1-cyclohexylethyl)-2-(2-amino-2-oxoethyl)sulfanylbenzamide;hydrochloride
CID 119589063
N-(2-amino-1-cyclohexylethyl)-2-(2-amino-2-oxoethoxy)benzamide
CID 119591890
N-(2-amino-1-cyclopropylethyl)naphthalene-1-carboxamide
CID 65188485

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopentylethyl)-2-(trifluoromethyl)benzamide?
The IUPAC name of N-(2-amino-1-cyclopentylethyl)-2-(trifluoromethyl)benzamide (CID 106737225) is N-(2-amino-1-cyclopentylethyl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2-amino-1-cyclopentylethyl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2-amino-1-cyclopentylethyl)-2-(trifluoromethyl)benzamide is NCC(NC(=O)c1ccccc1C(F)(F)F)C1CCCC1.
What is the InChIKey of N-(2-amino-1-cyclopentylethyl)-2-(trifluoromethyl)benzamide?
The InChIKey is HNDIAAPKECDQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c16-15(17,18)12-8-4-3-7-11(12)14(21)20-13(9-19)10-5-1-2-6-10/h3-4,7-8,10,13H,1-2,5-6,9,19H2,(H,20,21).
What are the key properties of N-(2-amino-1-cyclopentylethyl)-2-(trifluoromethyl)benzamide?
N-(2-amino-1-cyclopentylethyl)-2-(trifluoromethyl)benzamide has a molecular weight of 300.32 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopentylethyl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 106737225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).