N'-[3-[difluoro(phosphanyl)methyl]-4-methylphenyl]-N-(3-pyridin-4-yloxyphenyl)oxamide;ethane

C23H24F2N3O3P — CID 142944409

IUPACN'-[3-[difluoro(phosphanyl)methyl]-4-methylphenyl]-N-(3-pyridin-4-yloxyphenyl)oxamide;ethane
SMILESCC.Cc1ccc(NC(=O)C(=O)Nc2cccc(Oc3ccncc3)c2)cc1C(F)(F)P
InChIInChI=1S/C21H18F2N3O3P.C2H6/c1-13-5-6-15(12-18(13)21(22,23)30)26-20(28)19(27)25-14-3-2-4-17(11-14)29-16-7-9-24-10-8-16;1-2/h2-12H,30H2,1H3,(H,25,27)(H,26,28);1-2H3
InChIKeyYDTWPGJNQBAUJX-UHFFFAOYSA-N
MW459.43 g/mol
LogP5.71
Rot. Bonds5

About N'-[3-[difluoro(phosphanyl)methyl]-4-methylphenyl]-N-(3-pyridin-4-yloxyphenyl)oxamide;ethane

N'-[3-[difluoro(phosphanyl)methyl]-4-methylphenyl]-N-(3-pyridin-4-yloxyphenyl)oxamide;ethane (PubChem CID 142944409) has the molecular formula C23H24F2N3O3P and a molecular weight of 459.43 g/mol. Its IUPAC name is N'-[3-[difluoro(phosphanyl)methyl]-4-methylphenyl]-N-(3-pyridin-4-yloxyphenyl)oxamide;ethane.

Molecular Properties

Compound NameN'-[3-[difluoro(phosphanyl)methyl]-4-methylphenyl]-N-(3-pyridin-4-yloxyphenyl)oxamide;ethane
PubChem CID142944409
Molecular FormulaC23H24F2N3O3P
Molecular Weight459.43 g/mol
Exact Mass459.15
IUPAC NameN'-[3-[difluoro(phosphanyl)methyl]-4-methylphenyl]-N-(3-pyridin-4-yloxyphenyl)oxamide;ethane
SMILESCC.Cc1ccc(NC(=O)C(=O)Nc2cccc(Oc3ccncc3)c2)cc1C(F)(F)P
InChIInChI=1S/C21H18F2N3O3P.C2H6/c1-13-5-6-15(12-18(13)21(22,23)30)26-20(28)19(27)25-14-3-2-4-17(11-14)29-16-7-9-24-10-8-16;1-2/h2-12H,30H2,1H3,(H,25,27)(H,26,28);1-2H3
InChIKeyYDTWPGJNQBAUJX-UHFFFAOYSA-N
XLogP5.71
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.43
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N'-(3-methylphenyl)-N-(4-pyridin-4-yloxyphenyl)oxamide
CID 11359988
N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyridin-4-yloxyphenyl)oxamide
CID 11476057
1-(3,4-dimethylphenyl)-3-(3-pyridin-4-yloxyanilino)urea
CID 11428013
N'-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-N-[4-(trifluoromethyl)phenyl]oxamide
CID 11408487
N'-(4-fluorophenyl)-N-(4-pyridin-4-yloxyphenyl)oxamide
CID 11439538
N'-(3-methoxyphenyl)-N-(4-phenoxyphenyl)oxamide
CID 44999403
4-[(3-pyridin-4-yloxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120674496
1-[4-hydroxy-3-(trifluoromethyl)phenyl]-3-(4-pyridin-4-yloxyphenyl)urea
CID 11531206
1-(4-bromophenyl)-3-(3-pyridin-4-yloxyanilino)urea
CID 11177011
1-(5-chloro-2-methylphenyl)-3-(3-pyridin-4-yloxyanilino)urea
CID 11314668
N-[4-[3-[4-(pyridine-4-carbonylamino)phenoxy]phenoxy]phenyl]pyridine-4-carboxamide
CID 1376699
N-(4-pyridin-4-yloxyphenyl)acetamide
CID 49363593

Frequently Asked Questions

What is the IUPAC name of N'-[3-[difluoro(phosphanyl)methyl]-4-methylphenyl]-N-(3-pyridin-4-yloxyphenyl)oxamide;ethane?
The IUPAC name of N'-[3-[difluoro(phosphanyl)methyl]-4-methylphenyl]-N-(3-pyridin-4-yloxyphenyl)oxamide;ethane (CID 142944409) is N'-[3-[difluoro(phosphanyl)methyl]-4-methylphenyl]-N-(3-pyridin-4-yloxyphenyl)oxamide;ethane.
What is the SMILES notation for N'-[3-[difluoro(phosphanyl)methyl]-4-methylphenyl]-N-(3-pyridin-4-yloxyphenyl)oxamide;ethane?
The canonical SMILES for N'-[3-[difluoro(phosphanyl)methyl]-4-methylphenyl]-N-(3-pyridin-4-yloxyphenyl)oxamide;ethane is CC.Cc1ccc(NC(=O)C(=O)Nc2cccc(Oc3ccncc3)c2)cc1C(F)(F)P.
What is the InChIKey of N'-[3-[difluoro(phosphanyl)methyl]-4-methylphenyl]-N-(3-pyridin-4-yloxyphenyl)oxamide;ethane?
The InChIKey is YDTWPGJNQBAUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N3O3P.C2H6/c1-13-5-6-15(12-18(13)21(22,23)30)26-20(28)19(27)25-14-3-2-4-17(11-14)29-16-7-9-24-10-8-16;1-2/h2-12H,30H2,1H3,(H,25,27)(H,26,28);1-2H3.
What are the key properties of N'-[3-[difluoro(phosphanyl)methyl]-4-methylphenyl]-N-(3-pyridin-4-yloxyphenyl)oxamide;ethane?
N'-[3-[difluoro(phosphanyl)methyl]-4-methylphenyl]-N-(3-pyridin-4-yloxyphenyl)oxamide;ethane has a molecular weight of 459.43 g/mol, XLogP of 5.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[difluoro(phosphanyl)methyl]-4-methylphenyl]-N-(3-pyridin-4-yloxyphenyl)oxamide;ethane is sourced from PubChem (CID 142944409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).