[2-methoxy-4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl] acetate

C17H14F3NO4 — CID 17362444

IUPAC[2-methoxy-4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl] acetate
SMILESCOc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OC(C)=O
InChIInChI=1S/C17H14F3NO4/c1-10(22)25-14-7-6-11(8-15(14)24-2)16(23)21-13-5-3-4-12(9-13)17(18,19)20/h3-9H,1-2H3,(H,21,23)
InChIKeyJHKLDQVFQXASCO-UHFFFAOYSA-N
MW353.30 g/mol
LogP3.89
Rot. Bonds4

About [2-methoxy-4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl] acetate

[2-methoxy-4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl] acetate (PubChem CID 17362444) has the molecular formula C17H14F3NO4 and a molecular weight of 353.30 g/mol. Its IUPAC name is [2-methoxy-4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl] acetate.

Molecular Properties

Compound Name[2-methoxy-4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl] acetate
PubChem CID17362444
Molecular FormulaC17H14F3NO4
Molecular Weight353.30 g/mol
Exact Mass353.09
IUPAC Name[2-methoxy-4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl] acetate
SMILESCOc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OC(C)=O
InChIInChI=1S/C17H14F3NO4/c1-10(22)25-14-7-6-11(8-15(14)24-2)16(23)21-13-5-3-4-12(9-13)17(18,19)20/h3-9H,1-2H3,(H,21,23)
InChIKeyJHKLDQVFQXASCO-UHFFFAOYSA-N
XLogP3.89
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,4-dimethoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 678380
3-iodo-4-methoxy-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 43878187
[2-methoxy-4-[[3-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]phenyl]carbamoyl]phenyl] acetate
CID 126229853
3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 4858287
[4-[[[3-[(4-chlorobenzoyl)amino]benzoyl]amino]carbamoyl]-2-methoxyphenyl] acetate
CID 126230266
3-acetamido-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 46513424
3-[(4-acetamidobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 46513546
5-fluoro-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 34754187
4-methoxy-3-(propylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 18892400
ethyl 3-[[4-methoxy-3-[3-(trifluoromethyl)anilino]benzoyl]amino]benzoate
CID 54422821
[5-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-2-methoxyphenyl]-methanidylazanium
CID 21364356
[4-[(3,5-dichloro-4-hydroxyphenyl)carbamoyl]-2-methoxyphenyl] acetate
CID 2993167

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl] acetate?
The IUPAC name of [2-methoxy-4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl] acetate (CID 17362444) is [2-methoxy-4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl] acetate.
What is the SMILES notation for [2-methoxy-4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl] acetate?
The canonical SMILES for [2-methoxy-4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl] acetate is COc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OC(C)=O.
What is the InChIKey of [2-methoxy-4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl] acetate?
The InChIKey is JHKLDQVFQXASCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3NO4/c1-10(22)25-14-7-6-11(8-15(14)24-2)16(23)21-13-5-3-4-12(9-13)17(18,19)20/h3-9H,1-2H3,(H,21,23).
What are the key properties of [2-methoxy-4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl] acetate?
[2-methoxy-4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl] acetate has a molecular weight of 353.30 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl] acetate is sourced from PubChem (CID 17362444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).