ethyl 3-[ethyl-(5-fluoropyridine-2-carbonyl)amino]benzoate

C17H17FN2O3 — CID 75454549

IUPACethyl 3-[ethyl-(5-fluoropyridine-2-carbonyl)amino]benzoate
SMILESCCOC(=O)c1cccc(N(CC)C(=O)c2ccc(F)cn2)c1
InChIInChI=1S/C17H17FN2O3/c1-3-20(16(21)15-9-8-13(18)11-19-15)14-7-5-6-12(10-14)17(22)23-4-2/h5-11H,3-4H2,1-2H3
InChIKeyUGBYOOZSJDJLQF-UHFFFAOYSA-N
MW316.33 g/mol
LogP3.06
Rot. Bonds5

About ethyl 3-[ethyl-(5-fluoropyridine-2-carbonyl)amino]benzoate

ethyl 3-[ethyl-(5-fluoropyridine-2-carbonyl)amino]benzoate (PubChem CID 75454549) has the molecular formula C17H17FN2O3 and a molecular weight of 316.33 g/mol. Its IUPAC name is ethyl 3-[ethyl-(5-fluoropyridine-2-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 3-[ethyl-(5-fluoropyridine-2-carbonyl)amino]benzoate
PubChem CID75454549
Molecular FormulaC17H17FN2O3
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC Nameethyl 3-[ethyl-(5-fluoropyridine-2-carbonyl)amino]benzoate
SMILESCCOC(=O)c1cccc(N(CC)C(=O)c2ccc(F)cn2)c1
InChIInChI=1S/C17H17FN2O3/c1-3-20(16(21)15-9-8-13(18)11-19-15)14-7-5-6-12(10-14)17(22)23-4-2/h5-11H,3-4H2,1-2H3
InChIKeyUGBYOOZSJDJLQF-UHFFFAOYSA-N
XLogP3.06
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[ethyl-(3-methylimidazole-4-carbonyl)amino]benzoate
CID 126807221
ethyl 5-fluoropyridine-2-carboxylate
CID 10986675
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CID 104637909
5-fluoro-N-[3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-N-methylpyridine-2-carboxamide
CID 104639481
5-(dipropylamino)-N-ethyl-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109196689
diethyl benzene-1,3-dicarboxylate
CID 12491
ethyl 3-[cyanomethyl(ethyl)amino]benzoate
CID 122156568
6-amino-N-ethyl-N-(3-fluorophenyl)pyridine-2-carboxamide
CID 62238970
N-[4-(aminomethyl)phenyl]-5-fluoro-N-propylpyridine-2-carboxamide
CID 104637938
ethyl 3-[iodo(sulfanyl)amino]benzoate
CID 88954067
5-(3-acetylanilino)-N-ethyl-N-phenylpyridine-2-carboxamide
CID 109198506
ethyl 3-[bis(2-hydroxypropyl)amino]benzoate
CID 101317489

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[ethyl-(5-fluoropyridine-2-carbonyl)amino]benzoate?
The IUPAC name of ethyl 3-[ethyl-(5-fluoropyridine-2-carbonyl)amino]benzoate (CID 75454549) is ethyl 3-[ethyl-(5-fluoropyridine-2-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 3-[ethyl-(5-fluoropyridine-2-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 3-[ethyl-(5-fluoropyridine-2-carbonyl)amino]benzoate is CCOC(=O)c1cccc(N(CC)C(=O)c2ccc(F)cn2)c1.
What is the InChIKey of ethyl 3-[ethyl-(5-fluoropyridine-2-carbonyl)amino]benzoate?
The InChIKey is UGBYOOZSJDJLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3/c1-3-20(16(21)15-9-8-13(18)11-19-15)14-7-5-6-12(10-14)17(22)23-4-2/h5-11H,3-4H2,1-2H3.
What are the key properties of ethyl 3-[ethyl-(5-fluoropyridine-2-carbonyl)amino]benzoate?
ethyl 3-[ethyl-(5-fluoropyridine-2-carbonyl)amino]benzoate has a molecular weight of 316.33 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[ethyl-(5-fluoropyridine-2-carbonyl)amino]benzoate is sourced from PubChem (CID 75454549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).