2-amino-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]acetamide

C10H10F4N2O — CID 58597427

IUPAC2-amino-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]acetamide
SMILESNCC(=O)NCc1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C10H10F4N2O/c11-8-2-6(5-16-9(17)4-15)1-7(3-8)10(12,13)14/h1-3H,4-5,15H2,(H,16,17)
InChIKeyMRXURLKUCGVXCV-UHFFFAOYSA-N
MW250.19 g/mol
LogP1.42
Rot. Bonds3

About 2-amino-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]acetamide

2-amino-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 58597427) has the molecular formula C10H10F4N2O and a molecular weight of 250.19 g/mol. Its IUPAC name is 2-amino-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID58597427
Molecular FormulaC10H10F4N2O
Molecular Weight250.19 g/mol
Exact Mass250.07
IUPAC Name2-amino-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]acetamide
SMILESNCC(=O)NCc1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C10H10F4N2O/c11-8-2-6(5-16-9(17)4-15)1-7(3-8)10(12,13)14/h1-3H,4-5,15H2,(H,16,17)
InChIKeyMRXURLKUCGVXCV-UHFFFAOYSA-N
XLogP1.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.19
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-amino-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]acetamide (CID 58597427) is 2-amino-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-amino-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-amino-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]acetamide is NCC(=O)NCc1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of 2-amino-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is MRXURLKUCGVXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F4N2O/c11-8-2-6(5-16-9(17)4-15)1-7(3-8)10(12,13)14/h1-3H,4-5,15H2,(H,16,17).
What are the key properties of 2-amino-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]acetamide?
2-amino-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 250.19 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 58597427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).