[(2-methoxybenzoyl)amino] 2,2,2-trifluoroacetate

C10H8F3NO4 — CID 141193046

IUPAC[(2-methoxybenzoyl)amino] 2,2,2-trifluoroacetate
SMILESCOc1ccccc1C(=O)NOC(=O)C(F)(F)F
InChIInChI=1S/C10H8F3NO4/c1-17-7-5-3-2-4-6(7)8(15)14-18-9(16)10(11,12)13/h2-5H,1H3,(H,14,15)
InChIKeyNBZKMQCZCWCOKL-UHFFFAOYSA-N
MW263.17 g/mol
LogP1.45
Rot. Bonds2

About [(2-methoxybenzoyl)amino] 2,2,2-trifluoroacetate

[(2-methoxybenzoyl)amino] 2,2,2-trifluoroacetate (PubChem CID 141193046) has the molecular formula C10H8F3NO4 and a molecular weight of 263.17 g/mol. Its IUPAC name is [(2-methoxybenzoyl)amino] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[(2-methoxybenzoyl)amino] 2,2,2-trifluoroacetate
PubChem CID141193046
Molecular FormulaC10H8F3NO4
Molecular Weight263.17 g/mol
Exact Mass263.04
IUPAC Name[(2-methoxybenzoyl)amino] 2,2,2-trifluoroacetate
SMILESCOc1ccccc1C(=O)NOC(=O)C(F)(F)F
InChIInChI=1S/C10H8F3NO4/c1-17-7-5-3-2-4-6(7)8(15)14-18-9(16)10(11,12)13/h2-5H,1H3,(H,14,15)
InChIKeyNBZKMQCZCWCOKL-UHFFFAOYSA-N
XLogP1.45
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.17
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[[2-(trifluoromethoxy)benzoyl]amino] 2,2,2-trifluoroacetate
CID 141176315
2-methoxybenzohydrazide
CID 24051
2-methoxy-N-(2-methoxyethoxy)benzamide
CID 79676030
2-methoxybenzamide;2,2,2-trifluoroacetic acid
CID 69456154
(2-methoxyphenyl) 2,2,2-trifluoroacetate
CID 613204
2-methoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzamide
CID 108934760
N-(2,2-difluoro-3-hydroxypropyl)-2-methoxybenzamide
CID 104857085
2-methoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide
CID 108933228
2-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103723044
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
ethyl 2,2-difluoro-3-(2-methoxyphenyl)-3-oxopropanoate
CID 55071398
N-[2-amino-4-(trifluoromethyl)phenyl]-2-methoxybenzamide
CID 16775181

Frequently Asked Questions

What is the IUPAC name of [(2-methoxybenzoyl)amino] 2,2,2-trifluoroacetate?
The IUPAC name of [(2-methoxybenzoyl)amino] 2,2,2-trifluoroacetate (CID 141193046) is [(2-methoxybenzoyl)amino] 2,2,2-trifluoroacetate.
What is the SMILES notation for [(2-methoxybenzoyl)amino] 2,2,2-trifluoroacetate?
The canonical SMILES for [(2-methoxybenzoyl)amino] 2,2,2-trifluoroacetate is COc1ccccc1C(=O)NOC(=O)C(F)(F)F.
What is the InChIKey of [(2-methoxybenzoyl)amino] 2,2,2-trifluoroacetate?
The InChIKey is NBZKMQCZCWCOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NO4/c1-17-7-5-3-2-4-6(7)8(15)14-18-9(16)10(11,12)13/h2-5H,1H3,(H,14,15).
What are the key properties of [(2-methoxybenzoyl)amino] 2,2,2-trifluoroacetate?
[(2-methoxybenzoyl)amino] 2,2,2-trifluoroacetate has a molecular weight of 263.17 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-methoxybenzoyl)amino] 2,2,2-trifluoroacetate is sourced from PubChem (CID 141193046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).