4-[2-(3-fluoroanilino)-2-oxoethoxy]benzamide

C15H13FN2O3 — CID 7931240

IUPAC4-[2-(3-fluoroanilino)-2-oxoethoxy]benzamide
SMILESNC(=O)c1ccc(OCC(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C15H13FN2O3/c16-11-2-1-3-12(8-11)18-14(19)9-21-13-6-4-10(5-7-13)15(17)20/h1-8H,9H2,(H2,17,20)(H,18,19)
InChIKeyXGLVOFFQOINVPG-UHFFFAOYSA-N
MW288.28 g/mol
LogP1.94
Rot. Bonds5

About 4-[2-(3-fluoroanilino)-2-oxoethoxy]benzamide

4-[2-(3-fluoroanilino)-2-oxoethoxy]benzamide (PubChem CID 7931240) has the molecular formula C15H13FN2O3 and a molecular weight of 288.28 g/mol. Its IUPAC name is 4-[2-(3-fluoroanilino)-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name4-[2-(3-fluoroanilino)-2-oxoethoxy]benzamide
PubChem CID7931240
Molecular FormulaC15H13FN2O3
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC Name4-[2-(3-fluoroanilino)-2-oxoethoxy]benzamide
SMILESNC(=O)c1ccc(OCC(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C15H13FN2O3/c16-11-2-1-3-12(8-11)18-14(19)9-21-13-6-4-10(5-7-13)15(17)20/h1-8H,9H2,(H2,17,20)(H,18,19)
InChIKeyXGLVOFFQOINVPG-UHFFFAOYSA-N
XLogP1.94
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-fluoroanilino)-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate
CID 8678537
N-(3-fluorophenyl)-2-(4-nitrophenoxy)acetamide
CID 802614
3-[[2-(4-chlorophenoxy)acetyl]amino]-N-(3-fluorophenyl)benzamide
CID 55888092
2-[4-(4-cyanophenyl)phenoxy]-N-(3-fluorophenyl)acetamide
CID 7966651
3-[(2-phenoxyacetyl)amino]benzamide
CID 910367
2-(4-fluorophenoxy)-N-(3-hydroxyphenyl)acetamide
CID 6458581
[2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791695
2-(3-fluorophenoxy)-N-phenylacetamide
CID 2709732
N-(3-fluorophenyl)-2-[[2-(4-methoxyphenoxy)acetyl]amino]acetamide
CID 49335848
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(3-fluorophenyl)acetamide
CID 2611402
(3-fluorophenyl)methyl 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate
CID 16538887
N-[3-(aminomethyl)phenyl]-2-(3-fluorophenoxy)acetamide
CID 16784462

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-fluoroanilino)-2-oxoethoxy]benzamide?
The IUPAC name of 4-[2-(3-fluoroanilino)-2-oxoethoxy]benzamide (CID 7931240) is 4-[2-(3-fluoroanilino)-2-oxoethoxy]benzamide.
What is the SMILES notation for 4-[2-(3-fluoroanilino)-2-oxoethoxy]benzamide?
The canonical SMILES for 4-[2-(3-fluoroanilino)-2-oxoethoxy]benzamide is NC(=O)c1ccc(OCC(=O)Nc2cccc(F)c2)cc1.
What is the InChIKey of 4-[2-(3-fluoroanilino)-2-oxoethoxy]benzamide?
The InChIKey is XGLVOFFQOINVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O3/c16-11-2-1-3-12(8-11)18-14(19)9-21-13-6-4-10(5-7-13)15(17)20/h1-8H,9H2,(H2,17,20)(H,18,19).
What are the key properties of 4-[2-(3-fluoroanilino)-2-oxoethoxy]benzamide?
4-[2-(3-fluoroanilino)-2-oxoethoxy]benzamide has a molecular weight of 288.28 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-fluoroanilino)-2-oxoethoxy]benzamide is sourced from PubChem (CID 7931240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).