5-amino-N-(cyclopropylmethyl)-2-methyl-N-(3,3,3-trifluoropropyl)benzamide;hydrochloride

C15H20ClF3N2O — CID 120638824

IUPAC5-amino-N-(cyclopropylmethyl)-2-methyl-N-(3,3,3-trifluoropropyl)benzamide;hydrochloride
SMILESCc1ccc(N)cc1C(=O)N(CCC(F)(F)F)CC1CC1.Cl
InChIInChI=1S/C15H19F3N2O.ClH/c1-10-2-5-12(19)8-13(10)14(21)20(9-11-3-4-11)7-6-15(16,17)18;/h2,5,8,11H,3-4,6-7,9,19H2,1H3;1H
InChIKeyXPFUBWQZPJHEHJ-UHFFFAOYSA-N
MW336.79 g/mol
LogP3.80
Rot. Bonds5

About 5-amino-N-(cyclopropylmethyl)-2-methyl-N-(3,3,3-trifluoropropyl)benzamide;hydrochloride

5-amino-N-(cyclopropylmethyl)-2-methyl-N-(3,3,3-trifluoropropyl)benzamide;hydrochloride (PubChem CID 120638824) has the molecular formula C15H20ClF3N2O and a molecular weight of 336.79 g/mol. Its IUPAC name is 5-amino-N-(cyclopropylmethyl)-2-methyl-N-(3,3,3-trifluoropropyl)benzamide;hydrochloride.

Molecular Properties

Compound Name5-amino-N-(cyclopropylmethyl)-2-methyl-N-(3,3,3-trifluoropropyl)benzamide;hydrochloride
PubChem CID120638824
Molecular FormulaC15H20ClF3N2O
Molecular Weight336.79 g/mol
Exact Mass336.12
IUPAC Name5-amino-N-(cyclopropylmethyl)-2-methyl-N-(3,3,3-trifluoropropyl)benzamide;hydrochloride
SMILESCc1ccc(N)cc1C(=O)N(CCC(F)(F)F)CC1CC1.Cl
InChIInChI=1S/C15H19F3N2O.ClH/c1-10-2-5-12(19)8-13(10)14(21)20(9-11-3-4-11)7-6-15(16,17)18;/h2,5,8,11H,3-4,6-7,9,19H2,1H3;1H
InChIKeyXPFUBWQZPJHEHJ-UHFFFAOYSA-N
XLogP3.80
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.79
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-(cyclopropylmethyl)-N,2-dimethylbenzamide;hydrochloride
CID 120624156
5-amino-N-(cyclohexylmethyl)-2-methyl-N-prop-2-enylbenzamide
CID 120632735
5-amino-N-(cyclopentylmethyl)-N,2-dimethylbenzamide
CID 63632081
5-amino-N,N-bis(2-hydroxyethyl)-2-methylbenzamide
CID 61289864
N-(cyclopropylmethyl)-2-methyl-N-propyl-5-sulfamoylbenzamide
CID 60637766
5-amino-N-(2-cyclohexylethyl)-N,2-dimethylbenzamide
CID 120629879
5-amino-2-methyl-N,N-bis(2-methylpropyl)benzamide
CID 61291739
5-amino-2-methyl-N,N-bis(prop-2-enyl)benzamide
CID 61291356
5-amino-N-(dicyclopropylmethyl)-N,2-dimethylbenzamide;hydrochloride
CID 120628690
5-amino-N,2-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide
CID 120643725
5-amino-N-cyclopentyl-N,2-dimethylbenzamide
CID 61291157
5-amino-N-(cyclobutylmethyl)-2-methylbenzamide;hydrochloride
CID 120622474

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(cyclopropylmethyl)-2-methyl-N-(3,3,3-trifluoropropyl)benzamide;hydrochloride?
The IUPAC name of 5-amino-N-(cyclopropylmethyl)-2-methyl-N-(3,3,3-trifluoropropyl)benzamide;hydrochloride (CID 120638824) is 5-amino-N-(cyclopropylmethyl)-2-methyl-N-(3,3,3-trifluoropropyl)benzamide;hydrochloride.
What is the SMILES notation for 5-amino-N-(cyclopropylmethyl)-2-methyl-N-(3,3,3-trifluoropropyl)benzamide;hydrochloride?
The canonical SMILES for 5-amino-N-(cyclopropylmethyl)-2-methyl-N-(3,3,3-trifluoropropyl)benzamide;hydrochloride is Cc1ccc(N)cc1C(=O)N(CCC(F)(F)F)CC1CC1.Cl.
What is the InChIKey of 5-amino-N-(cyclopropylmethyl)-2-methyl-N-(3,3,3-trifluoropropyl)benzamide;hydrochloride?
The InChIKey is XPFUBWQZPJHEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O.ClH/c1-10-2-5-12(19)8-13(10)14(21)20(9-11-3-4-11)7-6-15(16,17)18;/h2,5,8,11H,3-4,6-7,9,19H2,1H3;1H.
What are the key properties of 5-amino-N-(cyclopropylmethyl)-2-methyl-N-(3,3,3-trifluoropropyl)benzamide;hydrochloride?
5-amino-N-(cyclopropylmethyl)-2-methyl-N-(3,3,3-trifluoropropyl)benzamide;hydrochloride has a molecular weight of 336.79 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(cyclopropylmethyl)-2-methyl-N-(3,3,3-trifluoropropyl)benzamide;hydrochloride is sourced from PubChem (CID 120638824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).