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

C13H17F3N2O3 — CID 60919077

IUPACN-[4-amino-3-(trifluoromethyl)phenyl]-2-(3-methoxypropoxy)acetamide
SMILESCOCCCOCC(=O)Nc1ccc(N)c(C(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O3/c1-20-5-2-6-21-8-12(19)18-9-3-4-11(17)10(7-9)13(14,15)16/h3-4,7H,2,5-6,8,17H2,1H3,(H,18,19)
InChIKeyOFVFWNVOCANEQH-UHFFFAOYSA-N
MW306.28 g/mol
LogP2.28
Rot. Bonds7

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

N-[4-amino-3-(trifluoromethyl)phenyl]-2-(3-methoxypropoxy)acetamide (PubChem CID 60919077) has the molecular formula C13H17F3N2O3 and a molecular weight of 306.28 g/mol. Its IUPAC name is N-[4-amino-3-(trifluoromethyl)phenyl]-2-(3-methoxypropoxy)acetamide.

Molecular Properties

Compound NameN-[4-amino-3-(trifluoromethyl)phenyl]-2-(3-methoxypropoxy)acetamide
PubChem CID60919077
Molecular FormulaC13H17F3N2O3
Molecular Weight306.28 g/mol
Exact Mass306.12
IUPAC NameN-[4-amino-3-(trifluoromethyl)phenyl]-2-(3-methoxypropoxy)acetamide
SMILESCOCCCOCC(=O)Nc1ccc(N)c(C(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O3/c1-20-5-2-6-21-8-12(19)18-9-3-4-11(17)10(7-9)13(14,15)16/h3-4,7H,2,5-6,8,17H2,1H3,(H,18,19)
InChIKeyOFVFWNVOCANEQH-UHFFFAOYSA-N
XLogP2.28
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-3-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103805332
N-(4-carbamothioylphenyl)-2-(3-methoxypropoxy)acetamide
CID 54936159
2-butoxy-N-[4-(2-hydroxyethylamino)-3-(trifluoromethyl)phenyl]acetamide
CID 136572531
N-[4-amino-3-(trifluoromethyl)phenyl]-4-methoxybenzamide
CID 16770362
N-[4-amino-3-(trifluoromethyl)phenyl]-4-propan-2-ylsulfanylbutanamide
CID 60887024
N-[4-amino-3-(trifluoromethyl)phenyl]-2-pentylsulfanylacetamide
CID 107748472
N-(4-aminophenyl)-2-(2-methoxyethoxy)acetamide;hydrochloride
CID 91844892
2-(2-methoxyethoxy)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 103606770
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethoxyacetamide
CID 60638343
[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] 2-methoxyacetate
CID 8018923
N-(2-amino-5-chlorophenyl)-2-[3-(2-methoxyethoxy)propoxy]acetamide
CID 103401181
N-(2-amino-4-chlorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]acetamide
CID 103176913

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-3-(trifluoromethyl)phenyl]-2-(3-methoxypropoxy)acetamide?
The IUPAC name of N-[4-amino-3-(trifluoromethyl)phenyl]-2-(3-methoxypropoxy)acetamide (CID 60919077) is N-[4-amino-3-(trifluoromethyl)phenyl]-2-(3-methoxypropoxy)acetamide.
What is the SMILES notation for N-[4-amino-3-(trifluoromethyl)phenyl]-2-(3-methoxypropoxy)acetamide?
The canonical SMILES for N-[4-amino-3-(trifluoromethyl)phenyl]-2-(3-methoxypropoxy)acetamide is COCCCOCC(=O)Nc1ccc(N)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-amino-3-(trifluoromethyl)phenyl]-2-(3-methoxypropoxy)acetamide?
The InChIKey is OFVFWNVOCANEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O3/c1-20-5-2-6-21-8-12(19)18-9-3-4-11(17)10(7-9)13(14,15)16/h3-4,7H,2,5-6,8,17H2,1H3,(H,18,19).
What are the key properties of N-[4-amino-3-(trifluoromethyl)phenyl]-2-(3-methoxypropoxy)acetamide?
N-[4-amino-3-(trifluoromethyl)phenyl]-2-(3-methoxypropoxy)acetamide has a molecular weight of 306.28 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-3-(trifluoromethyl)phenyl]-2-(3-methoxypropoxy)acetamide is sourced from PubChem (CID 60919077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).