3-amino-N-[2-(4-methylphenyl)ethyl]-N-(2,2,2-trifluoroethyl)benzamide

C18H19F3N2O — CID 119805832

IUPAC3-amino-N-[2-(4-methylphenyl)ethyl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCc1ccc(CCN(CC(F)(F)F)C(=O)c2cccc(N)c2)cc1
InChIInChI=1S/C18H19F3N2O/c1-13-5-7-14(8-6-13)9-10-23(12-18(19,20)21)17(24)15-3-2-4-16(22)11-15/h2-8,11H,9-10,12,22H2,1H3
InChIKeyKODXGLJCAYIKRK-UHFFFAOYSA-N
MW336.36 g/mol
LogP3.82
Rot. Bonds5

About 3-amino-N-[2-(4-methylphenyl)ethyl]-N-(2,2,2-trifluoroethyl)benzamide

3-amino-N-[2-(4-methylphenyl)ethyl]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 119805832) has the molecular formula C18H19F3N2O and a molecular weight of 336.36 g/mol. Its IUPAC name is 3-amino-N-[2-(4-methylphenyl)ethyl]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name3-amino-N-[2-(4-methylphenyl)ethyl]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID119805832
Molecular FormulaC18H19F3N2O
Molecular Weight336.36 g/mol
Exact Mass336.14
IUPAC Name3-amino-N-[2-(4-methylphenyl)ethyl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCc1ccc(CCN(CC(F)(F)F)C(=O)c2cccc(N)c2)cc1
InChIInChI=1S/C18H19F3N2O/c1-13-5-7-14(8-6-13)9-10-23(12-18(19,20)21)17(24)15-3-2-4-16(22)11-15/h2-8,11H,9-10,12,22H2,1H3
InChIKeyKODXGLJCAYIKRK-UHFFFAOYSA-N
XLogP3.82
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 53.82
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

3-amino-N-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)benzamide
CID 119805868
N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 78858632
3-(2-aminophenyl)-N-[2-(4-methylphenyl)ethyl]-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride
CID 120611397
3-amino-N-methyl-N-(4-phenylbutyl)benzamide;hydrochloride
CID 119733712
3-amino-N-ethyl-N-[(3-methylphenyl)methyl]benzamide
CID 60939211
3-amino-N,N-bis[3-(dimethylamino)propyl]benzamide
CID 11404016
3-amino-N,N-bis(3-methylbutyl)benzamide
CID 60939254
N-(2-bromoethyl)-3-hydroxy-N-(2,2,2-trifluoroethyl)benzamide
CID 107492577
N-(2-chloroethyl)-3-hydroxy-N-(2,2,2-trifluoroethyl)benzamide
CID 107492196
N-(2-hydroxyethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 103857335
N-butyl-3-chloro-N-(2,2,2-trifluoroethyl)benzamide
CID 78883501
3-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylbenzamide;hydrochloride
CID 119739240

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(4-methylphenyl)ethyl]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 3-amino-N-[2-(4-methylphenyl)ethyl]-N-(2,2,2-trifluoroethyl)benzamide (CID 119805832) is 3-amino-N-[2-(4-methylphenyl)ethyl]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 3-amino-N-[2-(4-methylphenyl)ethyl]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 3-amino-N-[2-(4-methylphenyl)ethyl]-N-(2,2,2-trifluoroethyl)benzamide is Cc1ccc(CCN(CC(F)(F)F)C(=O)c2cccc(N)c2)cc1.
What is the InChIKey of 3-amino-N-[2-(4-methylphenyl)ethyl]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is KODXGLJCAYIKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O/c1-13-5-7-14(8-6-13)9-10-23(12-18(19,20)21)17(24)15-3-2-4-16(22)11-15/h2-8,11H,9-10,12,22H2,1H3.
What are the key properties of 3-amino-N-[2-(4-methylphenyl)ethyl]-N-(2,2,2-trifluoroethyl)benzamide?
3-amino-N-[2-(4-methylphenyl)ethyl]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 336.36 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(4-methylphenyl)ethyl]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 119805832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).