5-amino-2-(2,2,2-trifluoroethoxy)benzamide

C9H9F3N2O2 — CID 61312859

IUPAC5-amino-2-(2,2,2-trifluoroethoxy)benzamide
SMILESNC(=O)c1cc(N)ccc1OCC(F)(F)F
InChIInChI=1S/C9H9F3N2O2/c10-9(11,12)4-16-7-2-1-5(13)3-6(7)8(14)15/h1-3H,4,13H2,(H2,14,15)
InChIKeyJCZZNPQDFSEEHZ-UHFFFAOYSA-N
MW234.18 g/mol
LogP1.31
Rot. Bonds3

About 5-amino-2-(2,2,2-trifluoroethoxy)benzamide

5-amino-2-(2,2,2-trifluoroethoxy)benzamide (PubChem CID 61312859) has the molecular formula C9H9F3N2O2 and a molecular weight of 234.18 g/mol. Its IUPAC name is 5-amino-2-(2,2,2-trifluoroethoxy)benzamide.

Molecular Properties

Compound Name5-amino-2-(2,2,2-trifluoroethoxy)benzamide
PubChem CID61312859
Molecular FormulaC9H9F3N2O2
Molecular Weight234.18 g/mol
Exact Mass234.06
IUPAC Name5-amino-2-(2,2,2-trifluoroethoxy)benzamide
SMILESNC(=O)c1cc(N)ccc1OCC(F)(F)F
InChIInChI=1S/C9H9F3N2O2/c10-9(11,12)4-16-7-2-1-5(13)3-6(7)8(14)15/h1-3H,4,13H2,(H2,14,15)
InChIKeyJCZZNPQDFSEEHZ-UHFFFAOYSA-N
XLogP1.31
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 51.31
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

5-amino-2-(2,2,3,3-tetrafluoropropoxy)benzamide
CID 55136526
2-(2,2,2-trifluoroethoxy)benzamide;hydrochloride
CID 160645363
5-amino-2-(3-amino-3-oxopropoxy)benzamide
CID 106956094
5-amino-2-butoxybenzamide
CID 61305277
5-amino-2-(3-methylsulfonylpropoxy)benzamide
CID 106956095
3-methyl-4-(2,2,2-trifluoroethoxy)aniline
CID 43165621
5-amino-2-(2-methoxypropoxy)benzamide
CID 106956252
5-amino-2-[2-oxo-2-(pentan-3-ylamino)ethoxy]benzamide
CID 106956198
5-amino-2-[2-(4-bromophenoxy)ethoxy]benzamide
CID 106956131
4-bromo-3-(2,2,2-trifluoroethoxy)aniline
CID 99770357
5-amino-2-(2-morpholin-4-yl-2-oxoethoxy)benzamide
CID 106956085
5-amino-2-[(2-bromo-5-fluorophenyl)methoxy]benzamide
CID 106956029

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2,2,2-trifluoroethoxy)benzamide?
The IUPAC name of 5-amino-2-(2,2,2-trifluoroethoxy)benzamide (CID 61312859) is 5-amino-2-(2,2,2-trifluoroethoxy)benzamide.
What is the SMILES notation for 5-amino-2-(2,2,2-trifluoroethoxy)benzamide?
The canonical SMILES for 5-amino-2-(2,2,2-trifluoroethoxy)benzamide is NC(=O)c1cc(N)ccc1OCC(F)(F)F.
What is the InChIKey of 5-amino-2-(2,2,2-trifluoroethoxy)benzamide?
The InChIKey is JCZZNPQDFSEEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2/c10-9(11,12)4-16-7-2-1-5(13)3-6(7)8(14)15/h1-3H,4,13H2,(H2,14,15).
What are the key properties of 5-amino-2-(2,2,2-trifluoroethoxy)benzamide?
5-amino-2-(2,2,2-trifluoroethoxy)benzamide has a molecular weight of 234.18 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2,2,2-trifluoroethoxy)benzamide is sourced from PubChem (CID 61312859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).