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

C22H18F2N2O4 — CID 58905379

IUPAC4-[2-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]propan-2-yl]benzoic acid
SMILESCC(C)(NC(=O)c1cc(F)cnc1Oc1ccc(F)cc1)c1ccc(C(=O)O)cc1
InChIInChI=1S/C22H18F2N2O4/c1-22(2,14-5-3-13(4-6-14)21(28)29)26-19(27)18-11-16(24)12-25-20(18)30-17-9-7-15(23)8-10-17/h3-12H,1-2H3,(H,26,27)(H,28,29)
InChIKeyQJJZGLLIFQDTQD-UHFFFAOYSA-N
MW412.39 g/mol
LogP4.52
Rot. Bonds6

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

4-[2-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]propan-2-yl]benzoic acid (PubChem CID 58905379) has the molecular formula C22H18F2N2O4 and a molecular weight of 412.39 g/mol. Its IUPAC name is 4-[2-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]propan-2-yl]benzoic acid.

Molecular Properties

Compound Name4-[2-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]propan-2-yl]benzoic acid
PubChem CID58905379
Molecular FormulaC22H18F2N2O4
Molecular Weight412.39 g/mol
Exact Mass412.12
IUPAC Name4-[2-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]propan-2-yl]benzoic acid
SMILESCC(C)(NC(=O)c1cc(F)cnc1Oc1ccc(F)cc1)c1ccc(C(=O)O)cc1
InChIInChI=1S/C22H18F2N2O4/c1-22(2,14-5-3-13(4-6-14)21(28)29)26-19(27)18-11-16(24)12-25-20(18)30-17-9-7-15(23)8-10-17/h3-12H,1-2H3,(H,26,27)(H,28,29)
InChIKeyQJJZGLLIFQDTQD-UHFFFAOYSA-N
XLogP4.52
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.39
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[2-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]propan-2-yl]benzoic acid with MolForge

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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
CP-457677
CID 10407399
4-[(1S)-1-[[5-chloro-2-(3-fluorophenoxy)pyridine-3-carbonyl]amino]ethyl]benzoic Acid
CID 11577792
(3-Phenoxybenzoylamino)benzoic acid deriv., 24b
CID 11464013
5-[4-Butoxy-3-[[[2-fluoranyl-4-(trifluoromethyl)phenyl]carbonylamino]methyl]phenyl]-4,6-dimethyl-pyridine-3-carboxylic acid
CID 52948223
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
4-[(1S)-1-({[5-Chloro-2-(3,5-difluorophenoxy)pyridin-3-YL]carbonyl}amino)ethyl]benzoic acid
CID 11502930
4-[(1S)-1-({[5-Chloro-2-(2,3-difluorophenoxy)pyridin-3-YL]carbonyl}amino)ethyl]benzoic acid
CID 11561083
4-[(1S)-1-({[5-Chloro-2-(2,5-difluorophenoxy)pyridin-3-YL]carbonyl}amino)ethyl]benzoic acid
CID 11582853

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]propan-2-yl]benzoic acid?
The IUPAC name of 4-[2-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]propan-2-yl]benzoic acid (CID 58905379) is 4-[2-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]propan-2-yl]benzoic acid.
What is the SMILES notation for 4-[2-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]propan-2-yl]benzoic acid?
The canonical SMILES for 4-[2-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]propan-2-yl]benzoic acid is CC(C)(NC(=O)c1cc(F)cnc1Oc1ccc(F)cc1)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[2-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]propan-2-yl]benzoic acid?
The InChIKey is QJJZGLLIFQDTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N2O4/c1-22(2,14-5-3-13(4-6-14)21(28)29)26-19(27)18-11-16(24)12-25-20(18)30-17-9-7-15(23)8-10-17/h3-12H,1-2H3,(H,26,27)(H,28,29).
What are the key properties of 4-[2-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]propan-2-yl]benzoic acid?
4-[2-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]propan-2-yl]benzoic acid has a molecular weight of 412.39 g/mol, XLogP of 4.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]propan-2-yl]benzoic acid is sourced from PubChem (CID 58905379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).