ethyl 4-[[5-[(2-fluorobenzoyl)amino]-2-pyridinyl]amino]benzoate

C21H18FN3O3 — CID 113021804

IUPACethyl 4-[[5-[(2-fluorobenzoyl)amino]-2-pyridinyl]amino]benzoate
SMILESCCOC(=O)c1ccc(Nc2ccc(NC(=O)c3ccccc3F)cn2)cc1
InChIInChI=1S/C21H18FN3O3/c1-2-28-21(27)14-7-9-15(10-8-14)24-19-12-11-16(13-23-19)25-20(26)17-5-3-4-6-18(17)22/h3-13H,2H2,1H3,(H,23,24)(H,25,26)
InChIKeyLTMYIVZDZHSTKT-UHFFFAOYSA-N
MW379.39 g/mol
LogP4.39
Rot. Bonds6

About ethyl 4-[[5-[(2-fluorobenzoyl)amino]-2-pyridinyl]amino]benzoate

ethyl 4-[[5-[(2-fluorobenzoyl)amino]-2-pyridinyl]amino]benzoate (PubChem CID 113021804) has the molecular formula C21H18FN3O3 and a molecular weight of 379.39 g/mol. Its IUPAC name is ethyl 4-[[5-[(2-fluorobenzoyl)amino]-2-pyridinyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[5-[(2-fluorobenzoyl)amino]-2-pyridinyl]amino]benzoate
PubChem CID113021804
Molecular FormulaC21H18FN3O3
Molecular Weight379.39 g/mol
Exact Mass379.13
IUPAC Nameethyl 4-[[5-[(2-fluorobenzoyl)amino]-2-pyridinyl]amino]benzoate
SMILESCCOC(=O)c1ccc(Nc2ccc(NC(=O)c3ccccc3F)cn2)cc1
InChIInChI=1S/C21H18FN3O3/c1-2-28-21(27)14-7-9-15(10-8-14)24-19-12-11-16(13-23-19)25-20(26)17-5-3-4-6-18(17)22/h3-13H,2H2,1H3,(H,23,24)(H,25,26)
InChIKeyLTMYIVZDZHSTKT-UHFFFAOYSA-N
XLogP4.39
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(4-acetamidoanilino)-3-pyridinyl]-2-fluorobenzamide
CID 113020547
2-fluoro-N-[6-(4-methoxyanilino)-3-pyridinyl]benzamide
CID 113019493
N-[6-[4-(diethylamino)anilino]-3-pyridinyl]-2-fluorobenzamide
CID 113020947
ethyl 4-[[5-(furan-2-carbonylamino)-2-pyridinyl]amino]benzoate
CID 113021798
ethyl 4-[[6-(4-chloroanilino)pyridine-3-carbonyl]amino]benzoate
CID 109163491
methyl 2-[[5-[(2-fluorobenzoyl)amino]-2-pyridinyl]amino]benzoate
CID 113020612
methyl 4-[[5-(ethoxycarbonylamino)-2-pyridinyl]amino]benzoate
CID 113020771
N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]-2-fluorobenzamide
CID 113018903
ethyl 2-[[5-[(2-chlorobenzoyl)amino]-2-pyridinyl]amino]benzoate
CID 113022610
ethyl 4-[[5-[(2-fluorobenzoyl)amino]-2-pyridinyl]amino]piperidine-1-carboxylate
CID 113014181
ethyl 2-[[5-[(2-methoxybenzoyl)amino]-2-pyridinyl]amino]benzoate
CID 113022601
N-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]-2-fluorobenzamide
CID 42474427

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[5-[(2-fluorobenzoyl)amino]-2-pyridinyl]amino]benzoate?
The IUPAC name of ethyl 4-[[5-[(2-fluorobenzoyl)amino]-2-pyridinyl]amino]benzoate (CID 113021804) is ethyl 4-[[5-[(2-fluorobenzoyl)amino]-2-pyridinyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[5-[(2-fluorobenzoyl)amino]-2-pyridinyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[5-[(2-fluorobenzoyl)amino]-2-pyridinyl]amino]benzoate is CCOC(=O)c1ccc(Nc2ccc(NC(=O)c3ccccc3F)cn2)cc1.
What is the InChIKey of ethyl 4-[[5-[(2-fluorobenzoyl)amino]-2-pyridinyl]amino]benzoate?
The InChIKey is LTMYIVZDZHSTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O3/c1-2-28-21(27)14-7-9-15(10-8-14)24-19-12-11-16(13-23-19)25-20(26)17-5-3-4-6-18(17)22/h3-13H,2H2,1H3,(H,23,24)(H,25,26).
What are the key properties of ethyl 4-[[5-[(2-fluorobenzoyl)amino]-2-pyridinyl]amino]benzoate?
ethyl 4-[[5-[(2-fluorobenzoyl)amino]-2-pyridinyl]amino]benzoate has a molecular weight of 379.39 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[5-[(2-fluorobenzoyl)amino]-2-pyridinyl]amino]benzoate is sourced from PubChem (CID 113021804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).