3-(3,4-dichlorophenyl)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)prop-2-enamide

C15H13Cl2N3O3 — CID 1221544

IUPAC3-(3,4-dichlorophenyl)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)prop-2-enamide
SMILESCn1c(NC(=O)C=Cc2ccc(Cl)c(Cl)c2)cc(=O)n(C)c1=O
InChIInChI=1S/C15H13Cl2N3O3/c1-19-12(8-14(22)20(2)15(19)23)18-13(21)6-4-9-3-5-10(16)11(17)7-9/h3-8H,1-2H3,(H,18,21)
InChIKeyUUVBVSYSMBSVIJ-UHFFFAOYSA-N
MW354.19 g/mol
LogP2.04
Rot. Bonds3

About 3-(3,4-dichlorophenyl)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)prop-2-enamide

3-(3,4-dichlorophenyl)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)prop-2-enamide (PubChem CID 1221544) has the molecular formula C15H13Cl2N3O3 and a molecular weight of 354.19 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)prop-2-enamide.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)prop-2-enamide
PubChem CID1221544
Molecular FormulaC15H13Cl2N3O3
Molecular Weight354.19 g/mol
Exact Mass353.03
IUPAC Name3-(3,4-dichlorophenyl)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)prop-2-enamide
SMILESCn1c(NC(=O)C=Cc2ccc(Cl)c(Cl)c2)cc(=O)n(C)c1=O
InChIInChI=1S/C15H13Cl2N3O3/c1-19-12(8-14(22)20(2)15(19)23)18-13(21)6-4-9-3-5-10(16)11(17)7-9/h3-8H,1-2H3,(H,18,21)
InChIKeyUUVBVSYSMBSVIJ-UHFFFAOYSA-N
XLogP2.04
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.19
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(3,4-dichlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)prop-2-enamide
CID 78772179
3-(3,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)prop-2-enamide
CID 3403410
3-(3,4-dichlorophenyl)-N-[3-[3-(3,4-dichlorophenyl)prop-2-enoylamino]phenyl]prop-2-enamide
CID 4675079
N-(5-acetamido-2-chlorophenyl)-3-(3,4-dichlorophenyl)prop-2-enamide
CID 75842434
3-(3,4-dichlorophenyl)-N-(2,3,4,5,6-pentafluorophenyl)prop-2-enamide
CID 2932282
3-(3,4-dichlorophenyl)-N-pyridin-4-ylprop-2-enamide
CID 3485585
(E)-N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)-3-(3,4-dichlorophenyl)prop-2-enamide
CID 18915202
3-(3,4-dichlorophenyl)-N-(4,6-dimethylpyridin-1-ium-2-yl)prop-2-enamide
CID 4746135
(E)-N-(5-acetyl-1,3-oxazol-2-yl)-3-(3,4-dichlorophenyl)prop-2-enamide
CID 75533591
(E)-N-[(2S)-butan-2-yl]-3-(3,4-dichlorophenyl)prop-2-enamide
CID 896104
(E)-3-(3,4-dichlorophenyl)-N-(6-methoxy-3-pyridinyl)prop-2-enamide
CID 162395253
(E)-3-(3,4-dichlorophenyl)-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)prop-2-enamide
CID 108751687

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)prop-2-enamide?
The IUPAC name of 3-(3,4-dichlorophenyl)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)prop-2-enamide (CID 1221544) is 3-(3,4-dichlorophenyl)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)prop-2-enamide.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)prop-2-enamide?
The canonical SMILES for 3-(3,4-dichlorophenyl)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)prop-2-enamide is Cn1c(NC(=O)C=Cc2ccc(Cl)c(Cl)c2)cc(=O)n(C)c1=O.
What is the InChIKey of 3-(3,4-dichlorophenyl)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)prop-2-enamide?
The InChIKey is UUVBVSYSMBSVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O3/c1-19-12(8-14(22)20(2)15(19)23)18-13(21)6-4-9-3-5-10(16)11(17)7-9/h3-8H,1-2H3,(H,18,21).
What are the key properties of 3-(3,4-dichlorophenyl)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)prop-2-enamide?
3-(3,4-dichlorophenyl)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)prop-2-enamide has a molecular weight of 354.19 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)prop-2-enamide is sourced from PubChem (CID 1221544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).