N-(2-amino-1-cyclopropylethyl)-2-(trifluoromethyl)benzamide;hydrochloride

C13H16ClF3N2O — CID 86813170

IUPACN-(2-amino-1-cyclopropylethyl)-2-(trifluoromethyl)benzamide;hydrochloride
SMILESCl.NCC(NC(=O)c1ccccc1C(F)(F)F)C1CC1
InChIInChI=1S/C13H15F3N2O.ClH/c14-13(15,16)10-4-2-1-3-9(10)12(19)18-11(7-17)8-5-6-8;/h1-4,8,11H,5-7,17H2,(H,18,19);1H
InChIKeyYPQJMCFUEOTOCH-UHFFFAOYSA-N
MW308.73 g/mol
LogP2.59
Rot. Bonds4

About N-(2-amino-1-cyclopropylethyl)-2-(trifluoromethyl)benzamide;hydrochloride

N-(2-amino-1-cyclopropylethyl)-2-(trifluoromethyl)benzamide;hydrochloride (PubChem CID 86813170) has the molecular formula C13H16ClF3N2O and a molecular weight of 308.73 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-2-(trifluoromethyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-2-(trifluoromethyl)benzamide;hydrochloride
PubChem CID86813170
Molecular FormulaC13H16ClF3N2O
Molecular Weight308.73 g/mol
Exact Mass308.09
IUPAC NameN-(2-amino-1-cyclopropylethyl)-2-(trifluoromethyl)benzamide;hydrochloride
SMILESCl.NCC(NC(=O)c1ccccc1C(F)(F)F)C1CC1
InChIInChI=1S/C13H15F3N2O.ClH/c14-13(15,16)10-4-2-1-3-9(10)12(19)18-11(7-17)8-5-6-8;/h1-4,8,11H,5-7,17H2,(H,18,19);1H
InChIKeyYPQJMCFUEOTOCH-UHFFFAOYSA-N
XLogP2.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.73
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-(trifluoromethyl)benzamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-(trifluoromethyl)benzamide;hydrochloride (CID 86813170) is N-(2-amino-1-cyclopropylethyl)-2-(trifluoromethyl)benzamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-2-(trifluoromethyl)benzamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-2-(trifluoromethyl)benzamide;hydrochloride is Cl.NCC(NC(=O)c1ccccc1C(F)(F)F)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-2-(trifluoromethyl)benzamide;hydrochloride?
The InChIKey is YPQJMCFUEOTOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O.ClH/c14-13(15,16)10-4-2-1-3-9(10)12(19)18-11(7-17)8-5-6-8;/h1-4,8,11H,5-7,17H2,(H,18,19);1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-2-(trifluoromethyl)benzamide;hydrochloride?
N-(2-amino-1-cyclopropylethyl)-2-(trifluoromethyl)benzamide;hydrochloride has a molecular weight of 308.73 g/mol, XLogP of 2.59, 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-cyclopropylethyl)-2-(trifluoromethyl)benzamide;hydrochloride is sourced from PubChem (CID 86813170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).