(E)-N-[[1-(2-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]-3-phenylprop-2-enamide

C20H15ClN4O4 — CID 137070402

IUPAC(E)-N-[[1-(2-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NN=Cc1c(O)n(-c2ccccc2Cl)c(=O)[nH]c1=O
InChIInChI=1S/C20H15ClN4O4/c21-15-8-4-5-9-16(15)25-19(28)14(18(27)23-20(25)29)12-22-24-17(26)11-10-13-6-2-1-3-7-13/h1-12,28H,(H,24,26)(H,23,27,29)/b11-10+,22-12?
InChIKeySAKNABZGNWMEBI-UQHVPXPYSA-N
MW410.82 g/mol
LogP2.05
Rot. Bonds5

About (E)-N-[[1-(2-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]-3-phenylprop-2-enamide

(E)-N-[[1-(2-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]-3-phenylprop-2-enamide (PubChem CID 137070402) has the molecular formula C20H15ClN4O4 and a molecular weight of 410.82 g/mol. Its IUPAC name is (E)-N-[[1-(2-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[[1-(2-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]-3-phenylprop-2-enamide
PubChem CID137070402
Molecular FormulaC20H15ClN4O4
Molecular Weight410.82 g/mol
Exact Mass410.08
IUPAC Name(E)-N-[[1-(2-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NN=Cc1c(O)n(-c2ccccc2Cl)c(=O)[nH]c1=O
InChIInChI=1S/C20H15ClN4O4/c21-15-8-4-5-9-16(15)25-19(28)14(18(27)23-20(25)29)12-22-24-17(26)11-10-13-6-2-1-3-7-13/h1-12,28H,(H,24,26)(H,23,27,29)/b11-10+,22-12?
InChIKeySAKNABZGNWMEBI-UQHVPXPYSA-N
XLogP2.05
TPSA116.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.82
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(E)-[1-(2-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]urea
CID 135717075
1-(2-chlorophenyl)-5-[[(3,4-dimethylphenyl)hydrazinylidene]methyl]-6-hydroxypyrimidine-2,4-dione
CID 137073853
N-[[1-(2-fluorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]benzamide
CID 5131295
N-[(E)-[1-(2-chlorophenyl)-6-hydroxy-4-oxo-2-sulfanylidenepyrimidin-5-yl]methylideneamino]pentanamide
CID 135493390
N-[[1-(4-bromophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]-2-chlorobenzamide
CID 3372682
1-[(E)-(6-hydroxy-1-naphthalen-1-yl-2,4-dioxopyrimidin-5-yl)methylideneamino]-3-phenylurea
CID 135822207
1-[[1-(2-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylidene]-3-(2,4-dimethylphenyl)urea
CID 137070654
1-(2-chlorophenyl)-6-hydroxy-5-[(E)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]pyrimidine-2,4-dione
CID 135749674
2-chloro-N-[[6-hydroxy-2,4-dioxo-1-(2,4,6-trimethylphenyl)pyrimidin-5-yl]methylideneamino]benzamide
CID 137070211
1-(2-chlorophenyl)-5-[(4-ethoxyphenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione
CID 137075008
(E)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-phenylprop-2-enamide
CID 135726416
N-[(E)-[2-(2-chlorophenyl)-3-hydroxy-1-oxoisoquinolin-4-yl]methylideneamino]cyclopropanecarboxamide
CID 135709344

Frequently Asked Questions

What is the IUPAC name of (E)-N-[[1-(2-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[[1-(2-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]-3-phenylprop-2-enamide (CID 137070402) is (E)-N-[[1-(2-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[[1-(2-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[[1-(2-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)NN=Cc1c(O)n(-c2ccccc2Cl)c(=O)[nH]c1=O.
What is the InChIKey of (E)-N-[[1-(2-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]-3-phenylprop-2-enamide?
The InChIKey is SAKNABZGNWMEBI-UQHVPXPYSA-N. The full InChI is InChI=1S/C20H15ClN4O4/c21-15-8-4-5-9-16(15)25-19(28)14(18(27)23-20(25)29)12-22-24-17(26)11-10-13-6-2-1-3-7-13/h1-12,28H,(H,24,26)(H,23,27,29)/b11-10+,22-12?.
What are the key properties of (E)-N-[[1-(2-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]-3-phenylprop-2-enamide?
(E)-N-[[1-(2-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]-3-phenylprop-2-enamide has a molecular weight of 410.82 g/mol, XLogP of 2.05, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[[1-(2-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]-3-phenylprop-2-enamide is sourced from PubChem (CID 137070402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).