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

C9H9F3N2O — CID 2779452

IUPACN-[2-amino-4-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C9H9F3N2O/c1-5(15)14-8-3-2-6(4-7(8)13)9(10,11)12/h2-4H,13H2,1H3,(H,14,15)
InChIKeyYBCKBOPAWVBWJH-UHFFFAOYSA-N
MW218.18 g/mol
LogP2.25
Rot. Bonds1

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

N-[2-amino-4-(trifluoromethyl)phenyl]acetamide (PubChem CID 2779452) has the molecular formula C9H9F3N2O and a molecular weight of 218.18 g/mol. Its IUPAC name is N-[2-amino-4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-amino-4-(trifluoromethyl)phenyl]acetamide
PubChem CID2779452
Molecular FormulaC9H9F3N2O
Molecular Weight218.18 g/mol
Exact Mass218.07
IUPAC NameN-[2-amino-4-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C9H9F3N2O/c1-5(15)14-8-3-2-6(4-7(8)13)9(10,11)12/h2-4H,13H2,1H3,(H,14,15)
InChIKeyYBCKBOPAWVBWJH-UHFFFAOYSA-N
XLogP2.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.18
LogP ≤ 52.25
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

N-[2-amino-4-(trifluoromethyl)phenyl]benzamide
CID 16775395
3-[2-amino-4-(trifluoromethyl)anilino]-3-oxopropanoic acid
CID 110480197
3-[2-amino-4-(trifluoromethyl)phenyl]-1-ethyl-1-methylurea
CID 79152321
N-[2-amino-4-(trifluoromethyl)phenyl]-2-(dimethylamino)acetamide
CID 16785588
3-[2-amino-4-(trifluoromethyl)phenyl]-1,1-diethylurea
CID 79153883
N-[2-amino-4-(trifluoromethyl)phenyl]-2-methylsulfinylpropanamide
CID 61288881
N-[2-amino-4-(trifluoromethyl)phenyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 107000194
N-[2-amino-4-(trifluoromethyl)phenyl]-2-(2-methylpropoxy)propanamide
CID 43098659
N-[2-amino-4-(trifluoromethyl)phenyl]-2-ethylsulfanylpropanamide
CID 43188508
N-[2-amino-4-(trifluoromethyl)phenyl]-3-hydroxy-4-methylbenzamide
CID 16776129
N-[2-amino-4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 102921222
N-[2-amino-4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 110480984

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[2-amino-4-(trifluoromethyl)phenyl]acetamide (CID 2779452) is N-[2-amino-4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[2-amino-4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[2-amino-4-(trifluoromethyl)phenyl]acetamide is CC(=O)Nc1ccc(C(F)(F)F)cc1N.
What is the InChIKey of N-[2-amino-4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is YBCKBOPAWVBWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O/c1-5(15)14-8-3-2-6(4-7(8)13)9(10,11)12/h2-4H,13H2,1H3,(H,14,15).
What are the key properties of N-[2-amino-4-(trifluoromethyl)phenyl]acetamide?
N-[2-amino-4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 218.18 g/mol, XLogP of 2.25, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 2779452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).