3-amino-5-methoxy-N-(2,2,2-trifluoroethyl)benzamide

C10H11F3N2O2 — CID 78985256

IUPAC3-amino-5-methoxy-N-(2,2,2-trifluoroethyl)benzamide
SMILESCOc1cc(N)cc(C(=O)NCC(F)(F)F)c1
InChIInChI=1S/C10H11F3N2O2/c1-17-8-3-6(2-7(14)4-8)9(16)15-5-10(11,12)13/h2-4H,5,14H2,1H3,(H,15,16)
InChIKeyOWOBJNDDGGNPJX-UHFFFAOYSA-N
MW248.20 g/mol
LogP1.57
Rot. Bonds3

About 3-amino-5-methoxy-N-(2,2,2-trifluoroethyl)benzamide

3-amino-5-methoxy-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 78985256) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is 3-amino-5-methoxy-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name3-amino-5-methoxy-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID78985256
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Name3-amino-5-methoxy-N-(2,2,2-trifluoroethyl)benzamide
SMILESCOc1cc(N)cc(C(=O)NCC(F)(F)F)c1
InChIInChI=1S/C10H11F3N2O2/c1-17-8-3-6(2-7(14)4-8)9(16)15-5-10(11,12)13/h2-4H,5,14H2,1H3,(H,15,16)
InChIKeyOWOBJNDDGGNPJX-UHFFFAOYSA-N
XLogP1.57
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 51.57
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 2-[(3-amino-5-methoxybenzoyl)amino]acetate
CID 81090884
3-amino-N-(2-amino-2-oxoethyl)-5-methoxybenzamide
CID 81089939
3-amino-N-(2-hydroxy-2,4-dimethylpentyl)-5-methoxybenzamide
CID 81091867
3-amino-N-(2-cyclopropylethyl)-5-methoxybenzamide
CID 81092217
3-amino-N-but-3-ynyl-5-methoxybenzamide
CID 81091765
3-amino-5-methoxy-N-(1-methylcyclopentyl)benzamide
CID 78985061
3-amino-5-methoxy-N-(2-methylbutan-2-yl)benzamide
CID 78985037
3-amino-5-methoxy-N-(pyridin-4-ylmethyl)benzamide
CID 81089949
3-amino-N-[4-(dimethylamino)butyl]-5-methoxybenzamide
CID 81090806
3-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-methoxybenzamide
CID 115453958
3-amino-5-methoxy-N-(thiolan-2-ylmethyl)benzamide
CID 81091777
3-amino-N-(3-butoxypropyl)-5-methoxybenzamide
CID 115597742

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methoxy-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 3-amino-5-methoxy-N-(2,2,2-trifluoroethyl)benzamide (CID 78985256) is 3-amino-5-methoxy-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 3-amino-5-methoxy-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 3-amino-5-methoxy-N-(2,2,2-trifluoroethyl)benzamide is COc1cc(N)cc(C(=O)NCC(F)(F)F)c1.
What is the InChIKey of 3-amino-5-methoxy-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is OWOBJNDDGGNPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c1-17-8-3-6(2-7(14)4-8)9(16)15-5-10(11,12)13/h2-4H,5,14H2,1H3,(H,15,16).
What are the key properties of 3-amino-5-methoxy-N-(2,2,2-trifluoroethyl)benzamide?
3-amino-5-methoxy-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 248.20 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methoxy-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 78985256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).