3-amino-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]benzamide

C18H19F3N2O — CID 119771428

IUPAC3-amino-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]benzamide
SMILESCC(C)(CNC(=O)c1cccc(N)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H19F3N2O/c1-17(2,13-6-4-7-14(10-13)18(19,20)21)11-23-16(24)12-5-3-8-15(22)9-12/h3-10H,11,22H2,1-2H3,(H,23,24)
InChIKeyKZQJUSOOYGXSLM-UHFFFAOYSA-N
MW336.36 g/mol
LogP4.00
Rot. Bonds4

About 3-amino-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]benzamide

3-amino-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]benzamide (PubChem CID 119771428) has the molecular formula C18H19F3N2O and a molecular weight of 336.36 g/mol. Its IUPAC name is 3-amino-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]benzamide.

Molecular Properties

Compound Name3-amino-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]benzamide
PubChem CID119771428
Molecular FormulaC18H19F3N2O
Molecular Weight336.36 g/mol
Exact Mass336.14
IUPAC Name3-amino-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]benzamide
SMILESCC(C)(CNC(=O)c1cccc(N)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H19F3N2O/c1-17(2,13-6-4-7-14(10-13)18(19,20)21)11-23-16(24)12-5-3-8-15(22)9-12/h3-10H,11,22H2,1-2H3,(H,23,24)
InChIKeyKZQJUSOOYGXSLM-UHFFFAOYSA-N
XLogP4.00
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(aminomethyl)-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]benzamide
CID 119316502
4-(aminomethyl)-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]benzamide;hydrochloride
CID 119316501
N-[(2R)-2-hydroxy-2-phenylpropyl]-3-(trifluoromethyl)benzamide
CID 95368012
3-amino-N-[2-methyl-2-(2-methylphenyl)propyl]benzamide;hydrochloride
CID 119756892
3-[(3-aminobenzoyl)amino]-2,2-dimethylpropanoic acid
CID 115427957
3-amino-N-(2,2-dimethylbutyl)benzamide
CID 103459945
2-hydroxy-2-methyl-3-[[3-(trifluoromethyl)benzoyl]amino]propanoic acid
CID 66171794
3-amino-N-(2-methoxy-2-methylpropyl)benzamide
CID 115739688
3-amino-N-(2,2-dimethyl-3-phenylpropyl)benzamide
CID 119794357
3-amino-N-[2-(dimethylamino)-2-methylpropyl]benzamide;dihydrochloride
CID 119830617
3-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]benzamide;hydrochloride
CID 119772767
N-(2-oxopropyl)-3-(trifluoromethyl)benzamide
CID 64997394

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]benzamide?
The IUPAC name of 3-amino-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]benzamide (CID 119771428) is 3-amino-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]benzamide.
What is the SMILES notation for 3-amino-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]benzamide?
The canonical SMILES for 3-amino-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]benzamide is CC(C)(CNC(=O)c1cccc(N)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-amino-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]benzamide?
The InChIKey is KZQJUSOOYGXSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O/c1-17(2,13-6-4-7-14(10-13)18(19,20)21)11-23-16(24)12-5-3-8-15(22)9-12/h3-10H,11,22H2,1-2H3,(H,23,24).
What are the key properties of 3-amino-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]benzamide?
3-amino-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]benzamide has a molecular weight of 336.36 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]benzamide is sourced from PubChem (CID 119771428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).