ethyl 3-[(6-fluoropyridine-2-carbonyl)amino]benzoate

C15H13FN2O3 — CID 115497035

IUPACethyl 3-[(6-fluoropyridine-2-carbonyl)amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)c2cccc(F)n2)c1
InChIInChI=1S/C15H13FN2O3/c1-2-21-15(20)10-5-3-6-11(9-10)17-14(19)12-7-4-8-13(16)18-12/h3-9H,2H2,1H3,(H,17,19)
InChIKeyFDGDBCLWLQBLNC-UHFFFAOYSA-N
MW288.28 g/mol
LogP2.65
Rot. Bonds4

About ethyl 3-[(6-fluoropyridine-2-carbonyl)amino]benzoate

ethyl 3-[(6-fluoropyridine-2-carbonyl)amino]benzoate (PubChem CID 115497035) has the molecular formula C15H13FN2O3 and a molecular weight of 288.28 g/mol. Its IUPAC name is ethyl 3-[(6-fluoropyridine-2-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 3-[(6-fluoropyridine-2-carbonyl)amino]benzoate
PubChem CID115497035
Molecular FormulaC15H13FN2O3
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC Nameethyl 3-[(6-fluoropyridine-2-carbonyl)amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)c2cccc(F)n2)c1
InChIInChI=1S/C15H13FN2O3/c1-2-21-15(20)10-5-3-6-11(9-10)17-14(19)12-7-4-8-13(16)18-12/h3-9H,2H2,1H3,(H,17,19)
InChIKeyFDGDBCLWLQBLNC-UHFFFAOYSA-N
XLogP2.65
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[(6-fluoropyridine-2-carbonyl)amino]benzoate
CID 115496994
ethyl 3-acetamidobenzoate
CID 700589
ethyl 3-[(3,5-dimethylbenzoyl)amino]benzoate
CID 17066429
ethyl 3-[(4-tert-butylbenzoyl)amino]benzoate
CID 883989
ethyl 3-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]benzoate;hydrochloride
CID 120618634
ethyl 3-[(2-carbamoylcyclohexene-1-carbonyl)amino]benzoate
CID 13307424
ethyl 3-[(3-fluoro-4-methoxybenzoyl)amino]benzoate
CID 9228357
ethyl 3-[(5-methyl-3-propan-2-yl-1H-pyrazole-4-carbonyl)amino]benzoate
CID 75470319
ethyl 3-[(4-ethoxybenzoyl)amino]benzoate
CID 836694
N-(4-carbamoylphenyl)-6-fluoropyridine-2-carboxamide
CID 115496681
ethyl 3-[(2,4-dichlorobenzoyl)amino]benzoate
CID 769408
ethyl 3-[(4,5-dichloro-1,2-thiazole-3-carbonyl)amino]benzoate
CID 138377042

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(6-fluoropyridine-2-carbonyl)amino]benzoate?
The IUPAC name of ethyl 3-[(6-fluoropyridine-2-carbonyl)amino]benzoate (CID 115497035) is ethyl 3-[(6-fluoropyridine-2-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 3-[(6-fluoropyridine-2-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 3-[(6-fluoropyridine-2-carbonyl)amino]benzoate is CCOC(=O)c1cccc(NC(=O)c2cccc(F)n2)c1.
What is the InChIKey of ethyl 3-[(6-fluoropyridine-2-carbonyl)amino]benzoate?
The InChIKey is FDGDBCLWLQBLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O3/c1-2-21-15(20)10-5-3-6-11(9-10)17-14(19)12-7-4-8-13(16)18-12/h3-9H,2H2,1H3,(H,17,19).
What are the key properties of ethyl 3-[(6-fluoropyridine-2-carbonyl)amino]benzoate?
ethyl 3-[(6-fluoropyridine-2-carbonyl)amino]benzoate has a molecular weight of 288.28 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(6-fluoropyridine-2-carbonyl)amino]benzoate is sourced from PubChem (CID 115497035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).