dichloro-[[5-[(2-ethoxy-2-oxoacetyl)amino]-2-propan-2-yloxyphenyl]methylidene]ruthenium

C14H17Cl2NO4Ru — CID 59273360

IUPACdichloro-[[5-[(2-ethoxy-2-oxoacetyl)amino]-2-propan-2-yloxyphenyl]methylidene]ruthenium
SMILESCCOC(=O)C(=O)Nc1ccc(OC(C)C)c(C=[Ru](Cl)Cl)c1
InChIInChI=1S/C14H17NO4.2ClH.Ru/c1-5-18-14(17)13(16)15-11-6-7-12(10(4)8-11)19-9(2)3;;;/h4,6-9H,5H2,1-3H3,(H,15,16);2*1H;/q;;;+2/p-2
InChIKeyFQLPTVRBYCIKIL-UHFFFAOYSA-L
MW435.27 g/mol
LogP3.05
Rot. Bonds5

About dichloro-[[5-[(2-ethoxy-2-oxoacetyl)amino]-2-propan-2-yloxyphenyl]methylidene]ruthenium

dichloro-[[5-[(2-ethoxy-2-oxoacetyl)amino]-2-propan-2-yloxyphenyl]methylidene]ruthenium (PubChem CID 59273360) has the molecular formula C14H17Cl2NO4Ru and a molecular weight of 435.27 g/mol. Its IUPAC name is dichloro-[[5-[(2-ethoxy-2-oxoacetyl)amino]-2-propan-2-yloxyphenyl]methylidene]ruthenium.

Molecular Properties

Compound Namedichloro-[[5-[(2-ethoxy-2-oxoacetyl)amino]-2-propan-2-yloxyphenyl]methylidene]ruthenium
PubChem CID59273360
Molecular FormulaC14H17Cl2NO4Ru
Molecular Weight435.27 g/mol
Exact Mass434.96
IUPAC Namedichloro-[[5-[(2-ethoxy-2-oxoacetyl)amino]-2-propan-2-yloxyphenyl]methylidene]ruthenium
SMILESCCOC(=O)C(=O)Nc1ccc(OC(C)C)c(C=[Ru](Cl)Cl)c1
InChIInChI=1S/C14H17NO4.2ClH.Ru/c1-5-18-14(17)13(16)15-11-6-7-12(10(4)8-11)19-9(2)3;;;/h4,6-9H,5H2,1-3H3,(H,15,16);2*1H;/q;;;+2/p-2
InChIKeyFQLPTVRBYCIKIL-UHFFFAOYSA-L
XLogP3.05
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.27
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dichloro-[[5-(2-methylpropoxycarbonylamino)-2-propan-2-yloxyphenyl]methylidene]ruthenium
CID 140726756
dichloro-[[2-propan-2-yloxy-5-[(3,3,3-trifluoro-2-oxopropanoyl)amino]phenyl]methylidene]ruthenium
CID 59273372
ethyl 2-oxo-2-(4-propan-2-yloxyanilino)acetate
CID 28710232
ethyl 2-(4-methoxy-3-propan-2-ylanilino)-2-oxoacetate
CID 115141811
ethyl 2-(4-ethoxy-3-methylanilino)-2-oxoacetate
CID 115141822
ethyl N-(3-chloro-4-propan-2-yloxyphenyl)carbamate
CID 60747816
ethyl 2-[3-[(2-ethoxy-2-oxoacetyl)amino]-4-methoxyanilino]-2-oxoacetate
CID 12897325
ethyl 2-(3-chloro-4-methylanilino)-2-oxoacetate
CID 3368368
dichloro-[(5-formyl-2-propan-2-yloxyphenyl)methylidene]ruthenium
CID 140664604
ethyl 2-(4-chloro-3-methylanilino)-2-oxoacetate
CID 121223568
1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-[[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-propan-2-yloxyphenyl]methylidene]ruthenium
CID 170653168
dichloro-[[5-[ethoxy(phenyl)phosphoryl]-2-propan-2-yloxyphenyl]methylidene]ruthenium
CID 59154106

Frequently Asked Questions

What is the IUPAC name of dichloro-[[5-[(2-ethoxy-2-oxoacetyl)amino]-2-propan-2-yloxyphenyl]methylidene]ruthenium?
The IUPAC name of dichloro-[[5-[(2-ethoxy-2-oxoacetyl)amino]-2-propan-2-yloxyphenyl]methylidene]ruthenium (CID 59273360) is dichloro-[[5-[(2-ethoxy-2-oxoacetyl)amino]-2-propan-2-yloxyphenyl]methylidene]ruthenium.
What is the SMILES notation for dichloro-[[5-[(2-ethoxy-2-oxoacetyl)amino]-2-propan-2-yloxyphenyl]methylidene]ruthenium?
The canonical SMILES for dichloro-[[5-[(2-ethoxy-2-oxoacetyl)amino]-2-propan-2-yloxyphenyl]methylidene]ruthenium is CCOC(=O)C(=O)Nc1ccc(OC(C)C)c(C=[Ru](Cl)Cl)c1.
What is the InChIKey of dichloro-[[5-[(2-ethoxy-2-oxoacetyl)amino]-2-propan-2-yloxyphenyl]methylidene]ruthenium?
The InChIKey is FQLPTVRBYCIKIL-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H17NO4.2ClH.Ru/c1-5-18-14(17)13(16)15-11-6-7-12(10(4)8-11)19-9(2)3;;;/h4,6-9H,5H2,1-3H3,(H,15,16);2*1H;/q;;;+2/p-2.
What are the key properties of dichloro-[[5-[(2-ethoxy-2-oxoacetyl)amino]-2-propan-2-yloxyphenyl]methylidene]ruthenium?
dichloro-[[5-[(2-ethoxy-2-oxoacetyl)amino]-2-propan-2-yloxyphenyl]methylidene]ruthenium has a molecular weight of 435.27 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-[[5-[(2-ethoxy-2-oxoacetyl)amino]-2-propan-2-yloxyphenyl]methylidene]ruthenium is sourced from PubChem (CID 59273360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).