methyl 2-chloro-5-[[1-(3-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]benzoate

C19H13Cl2N3O5 — CID 135628465

IUPACmethyl 2-chloro-5-[[1-(3-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]benzoate
SMILESCOC(=O)c1cc(/N=C/c2c(O)n(-c3cccc(Cl)c3)c(=O)[nH]c2=O)ccc1Cl
InChIInChI=1S/C19H13Cl2N3O5/c1-29-18(27)13-8-11(5-6-15(13)21)22-9-14-16(25)23-19(28)24(17(14)26)12-4-2-3-10(20)7-12/h2-9,26H,1H3,(H,23,25,28)/b22-9+
InChIKeyMVPSIYCBBBWDKI-LSFURLLWSA-N
MW434.24 g/mol
LogP3.08
Rot. Bonds4

About methyl 2-chloro-5-[[1-(3-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]benzoate

methyl 2-chloro-5-[[1-(3-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]benzoate (PubChem CID 135628465) has the molecular formula C19H13Cl2N3O5 and a molecular weight of 434.24 g/mol. Its IUPAC name is methyl 2-chloro-5-[[1-(3-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]benzoate.

Molecular Properties

Compound Namemethyl 2-chloro-5-[[1-(3-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]benzoate
PubChem CID135628465
Molecular FormulaC19H13Cl2N3O5
Molecular Weight434.24 g/mol
Exact Mass433.02
IUPAC Namemethyl 2-chloro-5-[[1-(3-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]benzoate
SMILESCOC(=O)c1cc(/N=C/c2c(O)n(-c3cccc(Cl)c3)c(=O)[nH]c2=O)ccc1Cl
InChIInChI=1S/C19H13Cl2N3O5/c1-29-18(27)13-8-11(5-6-15(13)21)22-9-14-16(25)23-19(28)24(17(14)26)12-4-2-3-10(20)7-12/h2-9,26H,1H3,(H,23,25,28)/b22-9+
InChIKeyMVPSIYCBBBWDKI-LSFURLLWSA-N
XLogP3.08
TPSA113.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.24
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze methyl 2-chloro-5-[[1-(3-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]benzoate with MolForge

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Related Compounds

methyl 2-chloro-5-[[6-hydroxy-1-(4-methylphenyl)-2,4-dioxopyrimidin-5-yl]methylideneamino]benzoate
CID 135628478
ethyl 2-chloro-5-[[6-hydroxy-1-(3-methylphenyl)-2,4-dioxopyrimidin-5-yl]methylideneamino]benzoate
CID 4996794
1-(3-chlorophenyl)-5-[(4-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione
CID 1379781
2-[[1-(3-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]benzoate
CID 135830794
4-[[1-(3-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]benzenesulfonamide
CID 3119695
1-(3-chlorophenyl)-6-hydroxy-5-[(2-methylphenyl)iminomethyl]pyrimidine-2,4-dione
CID 4583946
4-[[1-(3-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]-N,N-dimethylbenzenesulfonamide
CID 4271038
[2-chloro-4-[[1-(3-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]phenyl] thiocyanate
CID 135628411
1-(3-chlorophenyl)-6-hydroxy-5-[(2-methoxyphenyl)iminomethyl]pyrimidine-2,4-dione
CID 2844628
5-[(4-chloro-3-methoxyphenyl)iminomethyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione
CID 137070433
5-[[1-(4-bromo-3-methylphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]-2-chlorobenzoic acid
CID 137075011
1-(3-chlorophenyl)-6-hydroxy-5-[[4-(morpholine-4-carbonyl)phenyl]iminomethyl]pyrimidine-2,4-dione
CID 135628500

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-5-[[1-(3-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]benzoate?
The IUPAC name of methyl 2-chloro-5-[[1-(3-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]benzoate (CID 135628465) is methyl 2-chloro-5-[[1-(3-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]benzoate.
What is the SMILES notation for methyl 2-chloro-5-[[1-(3-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]benzoate?
The canonical SMILES for methyl 2-chloro-5-[[1-(3-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]benzoate is COC(=O)c1cc(/N=C/c2c(O)n(-c3cccc(Cl)c3)c(=O)[nH]c2=O)ccc1Cl.
What is the InChIKey of methyl 2-chloro-5-[[1-(3-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]benzoate?
The InChIKey is MVPSIYCBBBWDKI-LSFURLLWSA-N. The full InChI is InChI=1S/C19H13Cl2N3O5/c1-29-18(27)13-8-11(5-6-15(13)21)22-9-14-16(25)23-19(28)24(17(14)26)12-4-2-3-10(20)7-12/h2-9,26H,1H3,(H,23,25,28)/b22-9+.
What are the key properties of methyl 2-chloro-5-[[1-(3-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]benzoate?
methyl 2-chloro-5-[[1-(3-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]benzoate has a molecular weight of 434.24 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-5-[[1-(3-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]benzoate is sourced from PubChem (CID 135628465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).