2-(3-aminophenyl)-N-[4-(trifluoromethyl)phenyl]acetamide

C15H13F3N2O — CID 28712241

IUPAC2-(3-aminophenyl)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESNc1cccc(CC(=O)Nc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C15H13F3N2O/c16-15(17,18)11-4-6-13(7-5-11)20-14(21)9-10-2-1-3-12(19)8-10/h1-8H,9,19H2,(H,20,21)
InChIKeyHDONJGOXGIJIPG-UHFFFAOYSA-N
MW294.28 g/mol
LogP3.47
Rot. Bonds3

About 2-(3-aminophenyl)-N-[4-(trifluoromethyl)phenyl]acetamide

2-(3-aminophenyl)-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 28712241) has the molecular formula C15H13F3N2O and a molecular weight of 294.28 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID28712241
Molecular FormulaC15H13F3N2O
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC Name2-(3-aminophenyl)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESNc1cccc(CC(=O)Nc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C15H13F3N2O/c16-15(17,18)11-4-6-13(7-5-11)20-14(21)9-10-2-1-3-12(19)8-10/h1-8H,9,19H2,(H,20,21)
InChIKeyHDONJGOXGIJIPG-UHFFFAOYSA-N
XLogP3.47
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 53.47
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

2-(3-ethylphenyl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 123188980
4-[[2-(3-aminophenyl)acetyl]amino]-N-methylbenzamide
CID 62499837
2-(3-aminophenyl)-N-[4-(diethylamino)phenyl]acetamide
CID 28712277
N-(4-anilinophenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 161345978
N-methyl-4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzamide
CID 8700304
N-methyl-2-[4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenyl]acetamide
CID 38402676
2-(3-aminophenyl)-N-(3,5-dichlorophenyl)acetamide
CID 28712382
2-(3-aminophenyl)-N-(3,5-dichloro-4-fluorophenyl)acetamide
CID 107571211
N-(4-acetamidophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51271866
2-(4-hydroxyphenyl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 14879849
N-(4-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 4848940
N-(3-ethylphenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 23579193

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(3-aminophenyl)-N-[4-(trifluoromethyl)phenyl]acetamide (CID 28712241) is 2-(3-aminophenyl)-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(3-aminophenyl)-N-[4-(trifluoromethyl)phenyl]acetamide is Nc1cccc(CC(=O)Nc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 2-(3-aminophenyl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is HDONJGOXGIJIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O/c16-15(17,18)11-4-6-13(7-5-11)20-14(21)9-10-2-1-3-12(19)8-10/h1-8H,9,19H2,(H,20,21).
What are the key properties of 2-(3-aminophenyl)-N-[4-(trifluoromethyl)phenyl]acetamide?
2-(3-aminophenyl)-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 294.28 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 28712241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).