3-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]benzamide

C16H13F3N2O3 — CID 18084407

IUPAC3-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]benzamide
SMILESNC(=O)c1cccc(NC(=O)COc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C16H13F3N2O3/c17-16(18,19)11-4-2-6-13(8-11)24-9-14(22)21-12-5-1-3-10(7-12)15(20)23/h1-8H,9H2,(H2,20,23)(H,21,22)
InChIKeyBSICISOABZSIAM-UHFFFAOYSA-N
MW338.29 g/mol
LogP2.82
Rot. Bonds5

About 3-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]benzamide

3-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]benzamide (PubChem CID 18084407) has the molecular formula C16H13F3N2O3 and a molecular weight of 338.29 g/mol. Its IUPAC name is 3-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]benzamide.

Molecular Properties

Compound Name3-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]benzamide
PubChem CID18084407
Molecular FormulaC16H13F3N2O3
Molecular Weight338.29 g/mol
Exact Mass338.09
IUPAC Name3-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]benzamide
SMILESNC(=O)c1cccc(NC(=O)COc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C16H13F3N2O3/c17-16(18,19)11-4-2-6-13(8-11)24-9-14(22)21-12-5-1-3-10(7-12)15(20)23/h1-8H,9H2,(H2,20,23)(H,21,22)
InChIKeyBSICISOABZSIAM-UHFFFAOYSA-N
XLogP2.82
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(trifluoromethyl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 100757803
3-[(2-phenoxyacetyl)amino]benzamide
CID 910367
N-(3-ethylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 34280640
N-(3-prop-2-enoxyphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 95162922
2-(3-propoxyphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 4733098
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate
CID 8912726
2-methyl-N-[3-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]phenyl]propanamide
CID 18870141
N-(3-chloro-4-fluorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100757682
3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide
CID 54833567
3-[[2-(3,5-dimethylphenoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26167723
methyl 3-[[2-(3-tert-butylphenoxy)acetyl]amino]benzoate
CID 112977645
N-(3-chloro-4-methylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100757579

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]benzamide?
The IUPAC name of 3-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]benzamide (CID 18084407) is 3-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]benzamide.
What is the SMILES notation for 3-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]benzamide?
The canonical SMILES for 3-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]benzamide is NC(=O)c1cccc(NC(=O)COc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 3-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]benzamide?
The InChIKey is BSICISOABZSIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O3/c17-16(18,19)11-4-2-6-13(8-11)24-9-14(22)21-12-5-1-3-10(7-12)15(20)23/h1-8H,9H2,(H2,20,23)(H,21,22).
What are the key properties of 3-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]benzamide?
3-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]benzamide has a molecular weight of 338.29 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]benzamide is sourced from PubChem (CID 18084407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).