4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]benzoic acid

C20H14F2N2O4 — CID 58905358

IUPAC4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]benzoic acid
SMILESO=C(O)c1ccc(CNC(=O)c2cc(F)cnc2Oc2ccc(F)cc2)cc1
InChIInChI=1S/C20H14F2N2O4/c21-14-5-7-16(8-6-14)28-19-17(9-15(22)11-24-19)18(25)23-10-12-1-3-13(4-2-12)20(26)27/h1-9,11H,10H2,(H,23,25)(H,26,27)
InChIKeyMKVAIHBXTDOGGX-UHFFFAOYSA-N
MW384.34 g/mol
LogP3.78
Rot. Bonds6

About 4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]benzoic acid

4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]benzoic acid (PubChem CID 58905358) has the molecular formula C20H14F2N2O4 and a molecular weight of 384.34 g/mol. Its IUPAC name is 4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]benzoic acid
PubChem CID58905358
Molecular FormulaC20H14F2N2O4
Molecular Weight384.34 g/mol
Exact Mass384.09
IUPAC Name4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]benzoic acid
SMILESO=C(O)c1ccc(CNC(=O)c2cc(F)cnc2Oc2ccc(F)cc2)cc1
InChIInChI=1S/C20H14F2N2O4/c21-14-5-7-16(8-6-14)28-19-17(9-15(22)11-24-19)18(25)23-10-12-1-3-13(4-2-12)20(26)27/h1-9,11H,10H2,(H,23,25)(H,26,27)
InChIKeyMKVAIHBXTDOGGX-UHFFFAOYSA-N
XLogP3.78
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.34
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Diflufenican
CID 91735
2-(3,4-Difluorophenoxy)-5-fluoro-N-(cis-4-((2-hydroxy-5-methylbenzoyl)amino)cyclohexyl)nicotinamide
CID 9876393
2-[3-(Trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 11837154
CP-457677
CID 10407399
4-[(1S)-1-[[5-chloro-2-(3-fluorophenoxy)pyridine-3-carbonyl]amino]ethyl]benzoic Acid
CID 11577792
5-[4-Butoxy-3-[[[2-fluoranyl-4-(trifluoromethyl)phenyl]carbonylamino]methyl]phenyl]-4,6-dimethyl-pyridine-3-carboxylic acid
CID 52948223
2-ethoxy-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
CID 2080643
2-({[2-(4-Methylphenoxy)pyridin-3-yl]carbonyl}amino)acetic acid
CID 2801072
N-[(2,5-dimethoxyphenyl)methyl]-2-phenoxypyridine-3-carboxamide
CID 33657234
2-(4-Fluoro-phenoxy)-N-(4-methoxy-benzyl)-nicotinamide
CID 9884857
5-[4-(4-fluorophenoxy)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 10223831
4-[(1S)-1-({[5-Chloro-2-(3-chlorophenoxy)pyridin-3-YL]carbonyl}amino)ethyl]benzoic acid
CID 11502889

Frequently Asked Questions

What is the IUPAC name of 4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]benzoic acid?
The IUPAC name of 4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]benzoic acid (CID 58905358) is 4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]benzoic acid.
What is the SMILES notation for 4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]benzoic acid?
The canonical SMILES for 4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]benzoic acid is O=C(O)c1ccc(CNC(=O)c2cc(F)cnc2Oc2ccc(F)cc2)cc1.
What is the InChIKey of 4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]benzoic acid?
The InChIKey is MKVAIHBXTDOGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N2O4/c21-14-5-7-16(8-6-14)28-19-17(9-15(22)11-24-19)18(25)23-10-12-1-3-13(4-2-12)20(26)27/h1-9,11H,10H2,(H,23,25)(H,26,27).
What are the key properties of 4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]benzoic acid?
4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]benzoic acid has a molecular weight of 384.34 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]benzoic acid is sourced from PubChem (CID 58905358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).