4-amino-N-propan-2-yl-3-(trifluoromethyl)benzamide

C11H13F3N2O — CID 62155533

IUPAC4-amino-N-propan-2-yl-3-(trifluoromethyl)benzamide
SMILESCC(C)NC(=O)c1ccc(N)c(C(F)(F)F)c1
InChIInChI=1S/C11H13F3N2O/c1-6(2)16-10(17)7-3-4-9(15)8(5-7)11(12,13)14/h3-6H,15H2,1-2H3,(H,16,17)
InChIKeyYTEDYFIHPMBVSP-UHFFFAOYSA-N
MW246.23 g/mol
LogP2.43
Rot. Bonds2

About 4-amino-N-propan-2-yl-3-(trifluoromethyl)benzamide

4-amino-N-propan-2-yl-3-(trifluoromethyl)benzamide (PubChem CID 62155533) has the molecular formula C11H13F3N2O and a molecular weight of 246.23 g/mol. Its IUPAC name is 4-amino-N-propan-2-yl-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-amino-N-propan-2-yl-3-(trifluoromethyl)benzamide
PubChem CID62155533
Molecular FormulaC11H13F3N2O
Molecular Weight246.23 g/mol
Exact Mass246.10
IUPAC Name4-amino-N-propan-2-yl-3-(trifluoromethyl)benzamide
SMILESCC(C)NC(=O)c1ccc(N)c(C(F)(F)F)c1
InChIInChI=1S/C11H13F3N2O/c1-6(2)16-10(17)7-3-4-9(15)8(5-7)11(12,13)14/h3-6H,15H2,1-2H3,(H,16,17)
InChIKeyYTEDYFIHPMBVSP-UHFFFAOYSA-N
XLogP2.43
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-propan-2-yl-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-amino-N-propan-2-yl-3-(trifluoromethyl)benzamide (CID 62155533) is 4-amino-N-propan-2-yl-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-amino-N-propan-2-yl-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-amino-N-propan-2-yl-3-(trifluoromethyl)benzamide is CC(C)NC(=O)c1ccc(N)c(C(F)(F)F)c1.
What is the InChIKey of 4-amino-N-propan-2-yl-3-(trifluoromethyl)benzamide?
The InChIKey is YTEDYFIHPMBVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O/c1-6(2)16-10(17)7-3-4-9(15)8(5-7)11(12,13)14/h3-6H,15H2,1-2H3,(H,16,17).
What are the key properties of 4-amino-N-propan-2-yl-3-(trifluoromethyl)benzamide?
4-amino-N-propan-2-yl-3-(trifluoromethyl)benzamide has a molecular weight of 246.23 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-propan-2-yl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 62155533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).