N'-(3,4-dichlorophenyl)-N-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]propanediamide

C22H18Cl2N4O4 — CID 58968827

IUPACN'-(3,4-dichlorophenyl)-N-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]propanediamide
SMILESCNC(=O)c1cc(Oc2cccc(NC(=O)CC(=O)Nc3ccc(Cl)c(Cl)c3)c2)ccn1
InChIInChI=1S/C22H18Cl2N4O4/c1-25-22(31)19-11-16(7-8-26-19)32-15-4-2-3-13(9-15)27-20(29)12-21(30)28-14-5-6-17(23)18(24)10-14/h2-11H,12H2,1H3,(H,25,31)(H,27,29)(H,28,30)
InChIKeyXOSXXYVLYIVPIZ-UHFFFAOYSA-N
MW473.32 g/mol
LogP4.51
Rot. Bonds7

About N'-(3,4-dichlorophenyl)-N-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]propanediamide

N'-(3,4-dichlorophenyl)-N-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]propanediamide (PubChem CID 58968827) has the molecular formula C22H18Cl2N4O4 and a molecular weight of 473.32 g/mol. Its IUPAC name is N'-(3,4-dichlorophenyl)-N-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]propanediamide.

Molecular Properties

Compound NameN'-(3,4-dichlorophenyl)-N-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]propanediamide
PubChem CID58968827
Molecular FormulaC22H18Cl2N4O4
Molecular Weight473.32 g/mol
Exact Mass472.07
IUPAC NameN'-(3,4-dichlorophenyl)-N-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]propanediamide
SMILESCNC(=O)c1cc(Oc2cccc(NC(=O)CC(=O)Nc3ccc(Cl)c(Cl)c3)c2)ccn1
InChIInChI=1S/C22H18Cl2N4O4/c1-25-22(31)19-11-16(7-8-26-19)32-15-4-2-3-13(9-15)27-20(29)12-21(30)28-14-5-6-17(23)18(24)10-14/h2-11H,12H2,1H3,(H,25,31)(H,27,29)(H,28,30)
InChIKeyXOSXXYVLYIVPIZ-UHFFFAOYSA-N
XLogP4.51
TPSA109.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.32
LogP ≤ 54.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-N-[4-(trifluoromethyl)phenyl]propanediamide
CID 58968812
4-[4-[(3-chlorophenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 118002051
4-[3-[2-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]hydrazinyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 11306141
N'-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-N-[4-(trifluoromethyl)phenyl]oxamide
CID 11408487
4-[4-[[2-[4-chloro-3-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]-N-methylpyridine-2-carboxamide
CID 68784559
4-[4-[(3-fluorophenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 131953290
4-[3-[2-[(3-acetylphenyl)carbamoyl]hydrazinyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 11327580
4-[4-[(2-chloro-6-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 139036241
4-[4-[(3,4-dichloroanilino)methylsulfanyl]-3-(methylamino)phenoxy]-N-methylpyridine-2-carboxamide
CID 143028842
4-[4-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide
CID 58674628
4-[4-[[3-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 11699995
N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate
CID 86648443

Frequently Asked Questions

What is the IUPAC name of N'-(3,4-dichlorophenyl)-N-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]propanediamide?
The IUPAC name of N'-(3,4-dichlorophenyl)-N-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]propanediamide (CID 58968827) is N'-(3,4-dichlorophenyl)-N-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]propanediamide.
What is the SMILES notation for N'-(3,4-dichlorophenyl)-N-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]propanediamide?
The canonical SMILES for N'-(3,4-dichlorophenyl)-N-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]propanediamide is CNC(=O)c1cc(Oc2cccc(NC(=O)CC(=O)Nc3ccc(Cl)c(Cl)c3)c2)ccn1.
What is the InChIKey of N'-(3,4-dichlorophenyl)-N-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]propanediamide?
The InChIKey is XOSXXYVLYIVPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N4O4/c1-25-22(31)19-11-16(7-8-26-19)32-15-4-2-3-13(9-15)27-20(29)12-21(30)28-14-5-6-17(23)18(24)10-14/h2-11H,12H2,1H3,(H,25,31)(H,27,29)(H,28,30).
What are the key properties of N'-(3,4-dichlorophenyl)-N-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]propanediamide?
N'-(3,4-dichlorophenyl)-N-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]propanediamide has a molecular weight of 473.32 g/mol, XLogP of 4.51, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-dichlorophenyl)-N-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]propanediamide is sourced from PubChem (CID 58968827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).