methyl 2-[[5-[(2-fluorobenzoyl)amino]-2-pyridinyl]amino]benzoate

C20H16FN3O3 — CID 113020612

IUPACmethyl 2-[[5-[(2-fluorobenzoyl)amino]-2-pyridinyl]amino]benzoate
SMILESCOC(=O)c1ccccc1Nc1ccc(NC(=O)c2ccccc2F)cn1
InChIInChI=1S/C20H16FN3O3/c1-27-20(26)15-7-3-5-9-17(15)24-18-11-10-13(12-22-18)23-19(25)14-6-2-4-8-16(14)21/h2-12H,1H3,(H,22,24)(H,23,25)
InChIKeyJHQXHXBMAVRQLH-UHFFFAOYSA-N
MW365.36 g/mol
LogP4.00
Rot. Bonds5

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

methyl 2-[[5-[(2-fluorobenzoyl)amino]-2-pyridinyl]amino]benzoate (PubChem CID 113020612) has the molecular formula C20H16FN3O3 and a molecular weight of 365.36 g/mol. Its IUPAC name is methyl 2-[[5-[(2-fluorobenzoyl)amino]-2-pyridinyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[5-[(2-fluorobenzoyl)amino]-2-pyridinyl]amino]benzoate
PubChem CID113020612
Molecular FormulaC20H16FN3O3
Molecular Weight365.36 g/mol
Exact Mass365.12
IUPAC Namemethyl 2-[[5-[(2-fluorobenzoyl)amino]-2-pyridinyl]amino]benzoate
SMILESCOC(=O)c1ccccc1Nc1ccc(NC(=O)c2ccccc2F)cn1
InChIInChI=1S/C20H16FN3O3/c1-27-20(26)15-7-3-5-9-17(15)24-18-11-10-13(12-22-18)23-19(25)14-6-2-4-8-16(14)21/h2-12H,1H3,(H,22,24)(H,23,25)
InChIKeyJHQXHXBMAVRQLH-UHFFFAOYSA-N
XLogP4.00
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[6-[(2-fluorobenzoyl)amino]pyridazin-3-yl]amino]benzoate
CID 113049347
2-fluoro-N-[6-(4-methoxyanilino)-3-pyridinyl]benzamide
CID 113019493
2-fluoro-N-[6-[2-(trifluoromethyl)anilino]-3-pyridinyl]benzamide
CID 113020153
N-[6-(4-acetamidoanilino)-3-pyridinyl]-2-fluorobenzamide
CID 113020547
N-[6-(2,3-dichloroanilino)-3-pyridinyl]-2-fluorobenzamide
CID 113022429
N-[6-(2,4-dimethylanilino)-3-pyridinyl]-2-fluorobenzamide
CID 18419487
methyl 2-[[5-(ethoxycarbonylamino)-2-pyridinyl]amino]benzoate
CID 113020643
ethyl 2-[[5-[(2-methoxybenzoyl)amino]-2-pyridinyl]amino]benzoate
CID 113022601
ethyl 4-[[5-[(2-fluorobenzoyl)amino]-2-pyridinyl]amino]benzoate
CID 113021804
ethyl 2-[[5-[(2-chlorobenzoyl)amino]-2-pyridinyl]amino]benzoate
CID 113022610
methyl 2-[[5-(ethylsulfonylamino)-2-pyridinyl]amino]benzoate
CID 113020650
N-[6-[4-(diethylamino)anilino]-3-pyridinyl]-2-fluorobenzamide
CID 113020947

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-[(2-fluorobenzoyl)amino]-2-pyridinyl]amino]benzoate?
The IUPAC name of methyl 2-[[5-[(2-fluorobenzoyl)amino]-2-pyridinyl]amino]benzoate (CID 113020612) is methyl 2-[[5-[(2-fluorobenzoyl)amino]-2-pyridinyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[5-[(2-fluorobenzoyl)amino]-2-pyridinyl]amino]benzoate?
The canonical SMILES for methyl 2-[[5-[(2-fluorobenzoyl)amino]-2-pyridinyl]amino]benzoate is COC(=O)c1ccccc1Nc1ccc(NC(=O)c2ccccc2F)cn1.
What is the InChIKey of methyl 2-[[5-[(2-fluorobenzoyl)amino]-2-pyridinyl]amino]benzoate?
The InChIKey is JHQXHXBMAVRQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O3/c1-27-20(26)15-7-3-5-9-17(15)24-18-11-10-13(12-22-18)23-19(25)14-6-2-4-8-16(14)21/h2-12H,1H3,(H,22,24)(H,23,25).
What are the key properties of methyl 2-[[5-[(2-fluorobenzoyl)amino]-2-pyridinyl]amino]benzoate?
methyl 2-[[5-[(2-fluorobenzoyl)amino]-2-pyridinyl]amino]benzoate has a molecular weight of 365.36 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-[(2-fluorobenzoyl)amino]-2-pyridinyl]amino]benzoate is sourced from PubChem (CID 113020612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).