N-[2-amino-4-(trifluoromethoxy)phenyl]acetamide

C9H9F3N2O2 — CID 14836859

IUPACN-[2-amino-4-(trifluoromethoxy)phenyl]acetamide
SMILESCC(=O)Nc1ccc(OC(F)(F)F)cc1N
InChIInChI=1S/C9H9F3N2O2/c1-5(15)14-8-3-2-6(4-7(8)13)16-9(10,11)12/h2-4H,13H2,1H3,(H,14,15)
InChIKeyAUQTYRZATIQAQW-UHFFFAOYSA-N
MW234.18 g/mol
LogP2.13
Rot. Bonds2

About N-[2-amino-4-(trifluoromethoxy)phenyl]acetamide

N-[2-amino-4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 14836859) has the molecular formula C9H9F3N2O2 and a molecular weight of 234.18 g/mol. Its IUPAC name is N-[2-amino-4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-amino-4-(trifluoromethoxy)phenyl]acetamide
PubChem CID14836859
Molecular FormulaC9H9F3N2O2
Molecular Weight234.18 g/mol
Exact Mass234.06
IUPAC NameN-[2-amino-4-(trifluoromethoxy)phenyl]acetamide
SMILESCC(=O)Nc1ccc(OC(F)(F)F)cc1N
InChIInChI=1S/C9H9F3N2O2/c1-5(15)14-8-3-2-6(4-7(8)13)16-9(10,11)12/h2-4H,13H2,1H3,(H,14,15)
InChIKeyAUQTYRZATIQAQW-UHFFFAOYSA-N
XLogP2.13
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-amino-4-[[4-(trifluoromethoxy)benzoyl]amino]benzoate
CID 122424116
N-[2-amino-4-(trifluoromethyl)phenyl]acetamide
CID 2779452
N-[2-amino-4-(4-chlorophenoxy)phenyl]acetamide
CID 70625641
N-(2-amino-4-fluorophenyl)acetamide;ethane
CID 178102337
tert-butyl 4-acetamido-3-aminobenzoate
CID 11032294
1-[4-[3-[2-amino-4-(trifluoromethoxy)anilino]phenyl]piperazin-1-yl]ethanone
CID 68952746
2-[2-amino-5-(trifluoromethoxy)phenyl]propanoic acid
CID 106987644
N-(4-acetamido-3-aminophenyl)acetamide;hydrochloride
CID 17385562
(2-amino-4-methoxyphenyl)carbamic acid
CID 22317519
1-[2-amino-5-(trifluoromethoxy)phenyl]-2,2,2-trifluoroethanone
CID 98460898
2-dimethylphosphoryl-5-(trifluoromethoxy)aniline
CID 167150983
N-[2-bromo-4-(trifluoromethoxy)phenyl]-2-methylpropanamide
CID 22048751

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of N-[2-amino-4-(trifluoromethoxy)phenyl]acetamide (CID 14836859) is N-[2-amino-4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for N-[2-amino-4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for N-[2-amino-4-(trifluoromethoxy)phenyl]acetamide is CC(=O)Nc1ccc(OC(F)(F)F)cc1N.
What is the InChIKey of N-[2-amino-4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is AUQTYRZATIQAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2/c1-5(15)14-8-3-2-6(4-7(8)13)16-9(10,11)12/h2-4H,13H2,1H3,(H,14,15).
What are the key properties of N-[2-amino-4-(trifluoromethoxy)phenyl]acetamide?
N-[2-amino-4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 234.18 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 14836859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).