1-[2-(4-fluoroanilino)-2-oxoethoxy]naphthalene-2-carboxylic acid

C19H14FNO4 — CID 45419231

IUPAC1-[2-(4-fluoroanilino)-2-oxoethoxy]naphthalene-2-carboxylic acid
SMILESO=C(COc1c(C(=O)O)ccc2ccccc12)Nc1ccc(F)cc1
InChIInChI=1S/C19H14FNO4/c20-13-6-8-14(9-7-13)21-17(22)11-25-18-15-4-2-1-3-12(15)5-10-16(18)19(23)24/h1-10H,11H2,(H,21,22)(H,23,24)
InChIKeyPHGPZXVZRDTEDY-UHFFFAOYSA-N
MW339.32 g/mol
LogP3.69
Rot. Bonds5

About 1-[2-(4-fluoroanilino)-2-oxoethoxy]naphthalene-2-carboxylic acid

1-[2-(4-fluoroanilino)-2-oxoethoxy]naphthalene-2-carboxylic acid (PubChem CID 45419231) has the molecular formula C19H14FNO4 and a molecular weight of 339.32 g/mol. Its IUPAC name is 1-[2-(4-fluoroanilino)-2-oxoethoxy]naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-fluoroanilino)-2-oxoethoxy]naphthalene-2-carboxylic acid
PubChem CID45419231
Molecular FormulaC19H14FNO4
Molecular Weight339.32 g/mol
Exact Mass339.09
IUPAC Name1-[2-(4-fluoroanilino)-2-oxoethoxy]naphthalene-2-carboxylic acid
SMILESO=C(COc1c(C(=O)O)ccc2ccccc12)Nc1ccc(F)cc1
InChIInChI=1S/C19H14FNO4/c20-13-6-8-14(9-7-13)21-17(22)11-25-18-15-4-2-1-3-12(15)5-10-16(18)19(23)24/h1-10H,11H2,(H,21,22)(H,23,24)
InChIKeyPHGPZXVZRDTEDY-UHFFFAOYSA-N
XLogP3.69
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-dimethylphenoxy)-N-(4-fluorophenyl)acetamide
CID 776559
N-(4-fluorophenyl)-1-methoxynaphthalene-2-carboxamide
CID 141440290
N-(4-fluorophenyl)-2-[(2-naphthalen-1-yloxyacetyl)amino]acetamide
CID 7851076
2-[2-(4-fluoroanilino)-2-oxoethoxy]benzamide
CID 7283884
2-(2-anilino-2-oxoethoxy)-3-chlorobenzoic acid
CID 115955933
N-naphthalen-2-yl-2-[2-[2-(naphthalen-2-ylamino)-2-oxoethoxy]phenoxy]acetamide
CID 10528581
[2-(4-fluoroanilino)-2-oxoethyl] isoquinoline-1-carboxylate
CID 71823440
2-(2-aminophenoxy)-N-(4-fluorophenyl)acetamide
CID 16789642
N-(4-fluorophenyl)-2-(2-iodophenoxy)acetamide
CID 38878179
3-[2-(4-fluoroanilino)-2-oxoethoxy]benzoic acid
CID 900818
N-[4-[(4-fluorophenyl)methylamino]phenyl]-2-phenoxyacetamide
CID 112982473
N-(4-fluorophenyl)-2-[(2-naphthalen-2-yloxyacetyl)amino]benzamide
CID 1300898

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluoroanilino)-2-oxoethoxy]naphthalene-2-carboxylic acid?
The IUPAC name of 1-[2-(4-fluoroanilino)-2-oxoethoxy]naphthalene-2-carboxylic acid (CID 45419231) is 1-[2-(4-fluoroanilino)-2-oxoethoxy]naphthalene-2-carboxylic acid.
What is the SMILES notation for 1-[2-(4-fluoroanilino)-2-oxoethoxy]naphthalene-2-carboxylic acid?
The canonical SMILES for 1-[2-(4-fluoroanilino)-2-oxoethoxy]naphthalene-2-carboxylic acid is O=C(COc1c(C(=O)O)ccc2ccccc12)Nc1ccc(F)cc1.
What is the InChIKey of 1-[2-(4-fluoroanilino)-2-oxoethoxy]naphthalene-2-carboxylic acid?
The InChIKey is PHGPZXVZRDTEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FNO4/c20-13-6-8-14(9-7-13)21-17(22)11-25-18-15-4-2-1-3-12(15)5-10-16(18)19(23)24/h1-10H,11H2,(H,21,22)(H,23,24).
What are the key properties of 1-[2-(4-fluoroanilino)-2-oxoethoxy]naphthalene-2-carboxylic acid?
1-[2-(4-fluoroanilino)-2-oxoethoxy]naphthalene-2-carboxylic acid has a molecular weight of 339.32 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluoroanilino)-2-oxoethoxy]naphthalene-2-carboxylic acid is sourced from PubChem (CID 45419231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).