N-[(3-aminophenyl)methyl]-2,2,2-trifluoro-N-methylacetamide

C10H11F3N2O — CID 15888277

IUPACN-[(3-aminophenyl)methyl]-2,2,2-trifluoro-N-methylacetamide
SMILESCN(Cc1cccc(N)c1)C(=O)C(F)(F)F
InChIInChI=1S/C10H11F3N2O/c1-15(9(16)10(11,12)13)6-7-3-2-4-8(14)5-7/h2-5H,6,14H2,1H3
InChIKeyMGNHZKCQNNTUNI-UHFFFAOYSA-N
MW232.21 g/mol
LogP1.79
Rot. Bonds2

About N-[(3-aminophenyl)methyl]-2,2,2-trifluoro-N-methylacetamide

N-[(3-aminophenyl)methyl]-2,2,2-trifluoro-N-methylacetamide (PubChem CID 15888277) has the molecular formula C10H11F3N2O and a molecular weight of 232.21 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-2,2,2-trifluoro-N-methylacetamide.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-2,2,2-trifluoro-N-methylacetamide
PubChem CID15888277
Molecular FormulaC10H11F3N2O
Molecular Weight232.21 g/mol
Exact Mass232.08
IUPAC NameN-[(3-aminophenyl)methyl]-2,2,2-trifluoro-N-methylacetamide
SMILESCN(Cc1cccc(N)c1)C(=O)C(F)(F)F
InChIInChI=1S/C10H11F3N2O/c1-15(9(16)10(11,12)13)6-7-3-2-4-8(14)5-7/h2-5H,6,14H2,1H3
InChIKeyMGNHZKCQNNTUNI-UHFFFAOYSA-N
XLogP1.79
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 51.79
H-Bond Donors ≤ 51
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 N-[(3-aminophenyl)methyl]-2,2,2-trifluoro-N-methylacetamide?
The IUPAC name of N-[(3-aminophenyl)methyl]-2,2,2-trifluoro-N-methylacetamide (CID 15888277) is N-[(3-aminophenyl)methyl]-2,2,2-trifluoro-N-methylacetamide.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-2,2,2-trifluoro-N-methylacetamide?
The canonical SMILES for N-[(3-aminophenyl)methyl]-2,2,2-trifluoro-N-methylacetamide is CN(Cc1cccc(N)c1)C(=O)C(F)(F)F.
What is the InChIKey of N-[(3-aminophenyl)methyl]-2,2,2-trifluoro-N-methylacetamide?
The InChIKey is MGNHZKCQNNTUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O/c1-15(9(16)10(11,12)13)6-7-3-2-4-8(14)5-7/h2-5H,6,14H2,1H3.
What are the key properties of N-[(3-aminophenyl)methyl]-2,2,2-trifluoro-N-methylacetamide?
N-[(3-aminophenyl)methyl]-2,2,2-trifluoro-N-methylacetamide has a molecular weight of 232.21 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-2,2,2-trifluoro-N-methylacetamide is sourced from PubChem (CID 15888277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).