2-fluoro-6-[(2-phenoxyacetyl)amino]benzoate

C15H11FNO4- — CID 6933601

IUPAC2-fluoro-6-[(2-phenoxyacetyl)amino]benzoate
SMILESO=C(COc1ccccc1)Nc1cccc(F)c1C(=O)[O-]
InChIInChI=1S/C15H12FNO4/c16-11-7-4-8-12(14(11)15(19)20)17-13(18)9-21-10-5-2-1-3-6-10/h1-8H,9H2,(H,17,18)(H,19,20)/p-1
InChIKeyMKNXWHPIWWLAKN-UHFFFAOYSA-M
MW288.25 g/mol
LogP1.21
Rot. Bonds5

About 2-fluoro-6-[(2-phenoxyacetyl)amino]benzoate

2-fluoro-6-[(2-phenoxyacetyl)amino]benzoate (PubChem CID 6933601) has the molecular formula C15H11FNO4- and a molecular weight of 288.25 g/mol. Its IUPAC name is 2-fluoro-6-[(2-phenoxyacetyl)amino]benzoate.

Molecular Properties

Compound Name2-fluoro-6-[(2-phenoxyacetyl)amino]benzoate
PubChem CID6933601
Molecular FormulaC15H11FNO4-
Molecular Weight288.25 g/mol
Exact Mass288.07
IUPAC Name2-fluoro-6-[(2-phenoxyacetyl)amino]benzoate
SMILESO=C(COc1ccccc1)Nc1cccc(F)c1C(=O)[O-]
InChIInChI=1S/C15H12FNO4/c16-11-7-4-8-12(14(11)15(19)20)17-13(18)9-21-10-5-2-1-3-6-10/h1-8H,9H2,(H,17,18)(H,19,20)/p-1
InChIKeyMKNXWHPIWWLAKN-UHFFFAOYSA-M
XLogP1.21
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

zinc bis(2-[(2-phenoxyacetyl)amino]benzoate)
CID 67733128
N-(2-fluorophenyl)-2-(3-methylphenoxy)acetamide
CID 723312
2-[[2-(carboxylatomethylsulfanyl)acetyl]amino]-6-fluorobenzoate
CID 6926775
3,4-bis[(2-phenoxyacetyl)amino]benzoate
CID 3511141
N-(2-fluorophenyl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 7467631
N-(2-anilinophenyl)-2-phenoxyacetamide
CID 23903366
N-[2-methyl-3-[(2-phenoxyacetyl)amino]phenyl]propanamide
CID 38300689
2-[4-(benzylsulfamoyl)phenoxy]-N-(2-fluorophenyl)acetamide
CID 126207961
N-[5-(2-fluoroanilino)-2-pyridinyl]-2-phenoxyacetamide
CID 113033006
N-(2-aminophenyl)-2-(2,6-difluorophenoxy)acetamide
CID 81268833
N-[2-(hydrazinecarbonyl)phenyl]-2-phenoxyacetamide
CID 10613129
N-[4-chloro-2-[(2-phenoxyacetyl)amino]phenyl]-2-phenoxyacetamide
CID 1247989

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[(2-phenoxyacetyl)amino]benzoate?
The IUPAC name of 2-fluoro-6-[(2-phenoxyacetyl)amino]benzoate (CID 6933601) is 2-fluoro-6-[(2-phenoxyacetyl)amino]benzoate.
What is the SMILES notation for 2-fluoro-6-[(2-phenoxyacetyl)amino]benzoate?
The canonical SMILES for 2-fluoro-6-[(2-phenoxyacetyl)amino]benzoate is O=C(COc1ccccc1)Nc1cccc(F)c1C(=O)[O-].
What is the InChIKey of 2-fluoro-6-[(2-phenoxyacetyl)amino]benzoate?
The InChIKey is MKNXWHPIWWLAKN-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H12FNO4/c16-11-7-4-8-12(14(11)15(19)20)17-13(18)9-21-10-5-2-1-3-6-10/h1-8H,9H2,(H,17,18)(H,19,20)/p-1.
What are the key properties of 2-fluoro-6-[(2-phenoxyacetyl)amino]benzoate?
2-fluoro-6-[(2-phenoxyacetyl)amino]benzoate has a molecular weight of 288.25 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[(2-phenoxyacetyl)amino]benzoate is sourced from PubChem (CID 6933601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).