1-N'-[4-[(2-acetamido-4-pyridinyl)oxy]-2,5-difluorophenyl]-1-N'-phenylcyclopropane-1,1-dicarboxamide

C24H20F2N4O4 — CID 66604284

IUPAC1-N'-[4-[(2-acetamido-4-pyridinyl)oxy]-2,5-difluorophenyl]-1-N'-phenylcyclopropane-1,1-dicarboxamide
SMILESCC(=O)Nc1cc(Oc2cc(F)c(N(C(=O)C3(C(N)=O)CC3)c3ccccc3)cc2F)ccn1
InChIInChI=1S/C24H20F2N4O4/c1-14(31)29-21-11-16(7-10-28-21)34-20-13-17(25)19(12-18(20)26)30(15-5-3-2-4-6-15)23(33)24(8-9-24)22(27)32/h2-7,10-13H,8-9H2,1H3,(H2,27,32)(H,28,29,31)
InChIKeyBITBPXMBNBFPEI-UHFFFAOYSA-N
MW466.44 g/mol
LogP4.04
Rot. Bonds7

About 1-N'-[4-[(2-acetamido-4-pyridinyl)oxy]-2,5-difluorophenyl]-1-N'-phenylcyclopropane-1,1-dicarboxamide

1-N'-[4-[(2-acetamido-4-pyridinyl)oxy]-2,5-difluorophenyl]-1-N'-phenylcyclopropane-1,1-dicarboxamide (PubChem CID 66604284) has the molecular formula C24H20F2N4O4 and a molecular weight of 466.44 g/mol. Its IUPAC name is 1-N'-[4-[(2-acetamido-4-pyridinyl)oxy]-2,5-difluorophenyl]-1-N'-phenylcyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-[4-[(2-acetamido-4-pyridinyl)oxy]-2,5-difluorophenyl]-1-N'-phenylcyclopropane-1,1-dicarboxamide
PubChem CID66604284
Molecular FormulaC24H20F2N4O4
Molecular Weight466.44 g/mol
Exact Mass466.15
IUPAC Name1-N'-[4-[(2-acetamido-4-pyridinyl)oxy]-2,5-difluorophenyl]-1-N'-phenylcyclopropane-1,1-dicarboxamide
SMILESCC(=O)Nc1cc(Oc2cc(F)c(N(C(=O)C3(C(N)=O)CC3)c3ccccc3)cc2F)ccn1
InChIInChI=1S/C24H20F2N4O4/c1-14(31)29-21-11-16(7-10-28-21)34-20-13-17(25)19(12-18(20)26)30(15-5-3-2-4-6-15)23(33)24(8-9-24)22(27)32/h2-7,10-13H,8-9H2,1H3,(H2,27,32)(H,28,29,31)
InChIKeyBITBPXMBNBFPEI-UHFFFAOYSA-N
XLogP4.04
TPSA114.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.44
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-N'-[2,5-difluoro-4-[[2-[(2-methoxyacetyl)amino]-4-pyridinyl]oxy]phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 66603996
1-N'-[2,5-difluoro-4-[[2-[(2-fluoro-2-methylpropanoyl)amino]-4-pyridinyl]oxy]phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 66605067
1-N'-[2,5-difluoro-4-[[2-[[(3S)-3-hydroxypyrrolidine-1-carbonyl]amino]-4-pyridinyl]oxy]phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 67335768
[1-[[4-[4-(N-(1-carbamoylcyclopropanecarbonyl)-4-fluoroanilino)-2,5-difluorophenoxy]-2-pyridinyl]carbamoyl]azetidin-3-yl] 4-methylbenzenesulfonate
CID 87283985
1-N'-[4-[[2-(azetidine-1-carbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 68688918
1-N'-[4-[[2-[[3-[(dimethylamino)methyl]azetidine-1-carbonyl]amino]-4-pyridinyl]oxy]-2-fluorophenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 67334869
1-N'-[2-fluoro-4-[[2-[[3-(hydroxymethyl)azetidine-1-carbonyl]amino]-4-pyridinyl]oxy]phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 67336381
1-N'-[2-fluoro-4-[[2-[[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]amino]-4-pyridinyl]oxy]phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;hydrochloride
CID 67135964
1-N'-[4-[6-[[4-(dimethylamino)piperidine-1-carbonyl]amino]pyrimidin-4-yl]oxy-2,5-difluorophenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 68686848
1-N'-benzyl-1-N'-[2-fluoro-4-[[2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]-4-pyridinyl]oxy]phenyl]cyclopropane-1,1-dicarboxamide
CID 68687531
1-N'-[2-[3-(dimethylamino)phenoxy]phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 176908869
1-N'-[4-[[2-[[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-methylcarbamoyl]amino]-4-pyridinyl]oxy]-2-fluorophenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 68687620

Frequently Asked Questions

What is the IUPAC name of 1-N'-[4-[(2-acetamido-4-pyridinyl)oxy]-2,5-difluorophenyl]-1-N'-phenylcyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-[4-[(2-acetamido-4-pyridinyl)oxy]-2,5-difluorophenyl]-1-N'-phenylcyclopropane-1,1-dicarboxamide (CID 66604284) is 1-N'-[4-[(2-acetamido-4-pyridinyl)oxy]-2,5-difluorophenyl]-1-N'-phenylcyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-[4-[(2-acetamido-4-pyridinyl)oxy]-2,5-difluorophenyl]-1-N'-phenylcyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-[4-[(2-acetamido-4-pyridinyl)oxy]-2,5-difluorophenyl]-1-N'-phenylcyclopropane-1,1-dicarboxamide is CC(=O)Nc1cc(Oc2cc(F)c(N(C(=O)C3(C(N)=O)CC3)c3ccccc3)cc2F)ccn1.
What is the InChIKey of 1-N'-[4-[(2-acetamido-4-pyridinyl)oxy]-2,5-difluorophenyl]-1-N'-phenylcyclopropane-1,1-dicarboxamide?
The InChIKey is BITBPXMBNBFPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N4O4/c1-14(31)29-21-11-16(7-10-28-21)34-20-13-17(25)19(12-18(20)26)30(15-5-3-2-4-6-15)23(33)24(8-9-24)22(27)32/h2-7,10-13H,8-9H2,1H3,(H2,27,32)(H,28,29,31).
What are the key properties of 1-N'-[4-[(2-acetamido-4-pyridinyl)oxy]-2,5-difluorophenyl]-1-N'-phenylcyclopropane-1,1-dicarboxamide?
1-N'-[4-[(2-acetamido-4-pyridinyl)oxy]-2,5-difluorophenyl]-1-N'-phenylcyclopropane-1,1-dicarboxamide has a molecular weight of 466.44 g/mol, XLogP of 4.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[4-[(2-acetamido-4-pyridinyl)oxy]-2,5-difluorophenyl]-1-N'-phenylcyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 66604284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).