methyl 2-[2-[(5-fluoro-2-pyridinyl)carbamoyl]phenoxy]acetate

C15H13FN2O4 — CID 171703959

IUPACmethyl 2-[2-[(5-fluoro-2-pyridinyl)carbamoyl]phenoxy]acetate
SMILESCOC(=O)COc1ccccc1C(=O)Nc1ccc(F)cn1
InChIInChI=1S/C15H13FN2O4/c1-21-14(19)9-22-12-5-3-2-4-11(12)15(20)18-13-7-6-10(16)8-17-13/h2-8H,9H2,1H3,(H,17,18,20)
InChIKeyPQVDMGZWQRUBOR-UHFFFAOYSA-N
MW304.28 g/mol
LogP2.02
Rot. Bonds5

About methyl 2-[2-[(5-fluoro-2-pyridinyl)carbamoyl]phenoxy]acetate

methyl 2-[2-[(5-fluoro-2-pyridinyl)carbamoyl]phenoxy]acetate (PubChem CID 171703959) has the molecular formula C15H13FN2O4 and a molecular weight of 304.28 g/mol. Its IUPAC name is methyl 2-[2-[(5-fluoro-2-pyridinyl)carbamoyl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[(5-fluoro-2-pyridinyl)carbamoyl]phenoxy]acetate
PubChem CID171703959
Molecular FormulaC15H13FN2O4
Molecular Weight304.28 g/mol
Exact Mass304.09
IUPAC Namemethyl 2-[2-[(5-fluoro-2-pyridinyl)carbamoyl]phenoxy]acetate
SMILESCOC(=O)COc1ccccc1C(=O)Nc1ccc(F)cn1
InChIInChI=1S/C15H13FN2O4/c1-21-14(19)9-22-12-5-3-2-4-11(12)15(20)18-13-7-6-10(16)8-17-13/h2-8H,9H2,1H3,(H,17,18,20)
InChIKeyPQVDMGZWQRUBOR-UHFFFAOYSA-N
XLogP2.02
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.28
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-fluoro-2-pyridinyl)-2-iodobenzamide
CID 62877590
2-(2-methoxy-2-oxoethoxy)benzoic acid
CID 11218054
methyl 2-(2-carbamoylphenoxy)acetate
CID 2772027
methyl 2-[(5-fluoro-2-pyridinyl)amino]acetate
CID 61312351
6-[(2-ethoxybenzoyl)amino]pyridine-3-carboxylic acid
CID 61319184
N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]-2-methoxybenzamide
CID 113026998
2-bromo-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide
CID 103754643
methyl 2-[3-[(2-ethoxybenzoyl)amino]phenoxy]acetate
CID 46416869
methyl 2-[2-(4-fluorophenyl)-6-[(2-methoxybenzoyl)amino]quinolin-4-yl]oxyacetate
CID 53113586
2-methoxy-N-pyridin-2-ylbenzamide;trihydrochloride
CID 175760684
methyl 2-[2-[2-(dimethylamino)acetyl]phenoxy]acetate
CID 162353946
tert-butyl 2-(2-methoxy-2-oxoethoxy)benzoate
CID 134353565

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(5-fluoro-2-pyridinyl)carbamoyl]phenoxy]acetate?
The IUPAC name of methyl 2-[2-[(5-fluoro-2-pyridinyl)carbamoyl]phenoxy]acetate (CID 171703959) is methyl 2-[2-[(5-fluoro-2-pyridinyl)carbamoyl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[2-[(5-fluoro-2-pyridinyl)carbamoyl]phenoxy]acetate?
The canonical SMILES for methyl 2-[2-[(5-fluoro-2-pyridinyl)carbamoyl]phenoxy]acetate is COC(=O)COc1ccccc1C(=O)Nc1ccc(F)cn1.
What is the InChIKey of methyl 2-[2-[(5-fluoro-2-pyridinyl)carbamoyl]phenoxy]acetate?
The InChIKey is PQVDMGZWQRUBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O4/c1-21-14(19)9-22-12-5-3-2-4-11(12)15(20)18-13-7-6-10(16)8-17-13/h2-8H,9H2,1H3,(H,17,18,20).
What are the key properties of methyl 2-[2-[(5-fluoro-2-pyridinyl)carbamoyl]phenoxy]acetate?
methyl 2-[2-[(5-fluoro-2-pyridinyl)carbamoyl]phenoxy]acetate has a molecular weight of 304.28 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(5-fluoro-2-pyridinyl)carbamoyl]phenoxy]acetate is sourced from PubChem (CID 171703959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).