1-[(2,3-dichlorophenyl)methyl]-3-methyl-2,6-dioxopyrimidine-4-carboxamide

C13H11Cl2N3O3 — CID 10914418

IUPAC1-[(2,3-dichlorophenyl)methyl]-3-methyl-2,6-dioxopyrimidine-4-carboxamide
SMILESCn1c(C(N)=O)cc(=O)n(Cc2cccc(Cl)c2Cl)c1=O
InChIInChI=1S/C13H11Cl2N3O3/c1-17-9(12(16)20)5-10(19)18(13(17)21)6-7-3-2-4-8(14)11(7)15/h2-5H,6H2,1H3,(H2,16,20)
InChIKeyUCHGGLHWSWVIMV-UHFFFAOYSA-N
MW328.16 g/mol
LogP1.00
Rot. Bonds3

About 1-[(2,3-dichlorophenyl)methyl]-3-methyl-2,6-dioxopyrimidine-4-carboxamide

1-[(2,3-dichlorophenyl)methyl]-3-methyl-2,6-dioxopyrimidine-4-carboxamide (PubChem CID 10914418) has the molecular formula C13H11Cl2N3O3 and a molecular weight of 328.16 g/mol. Its IUPAC name is 1-[(2,3-dichlorophenyl)methyl]-3-methyl-2,6-dioxopyrimidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2,3-dichlorophenyl)methyl]-3-methyl-2,6-dioxopyrimidine-4-carboxamide
PubChem CID10914418
Molecular FormulaC13H11Cl2N3O3
Molecular Weight328.16 g/mol
Exact Mass327.02
IUPAC Name1-[(2,3-dichlorophenyl)methyl]-3-methyl-2,6-dioxopyrimidine-4-carboxamide
SMILESCn1c(C(N)=O)cc(=O)n(Cc2cccc(Cl)c2Cl)c1=O
InChIInChI=1S/C13H11Cl2N3O3/c1-17-9(12(16)20)5-10(19)18(13(17)21)6-7-3-2-4-8(14)11(7)15/h2-5H,6H2,1H3,(H2,16,20)
InChIKeyUCHGGLHWSWVIMV-UHFFFAOYSA-N
XLogP1.00
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.16
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-(2,4-Dichlorobenzyl)-8-hydroxy-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
CID 594494
N-[1-(2,6-dichlorobenzyl)-2-oxo-1,2-dihydro-3-pyridinyl]acetamide
CID 3828707
1-Benzyl-3-[1-[(2-chlorophenyl)methyl]-2-oxopyridin-3-yl]urea
CID 1450078
2-Oxo-1,2-dihydropyridin-3-yl amide derivative, 6t
CID 44473105
2-Oxo-1,2-dihydropyridin-3-yl amide derivative, 8t
CID 44473111
6-[4-(3,4-dichlorophenyl)piperidine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione
CID 156905886
N-(benzylcarbamoyl)-2-[(2,3-dichlorophenyl)methyl-methylamino]acetamide
CID 2698602
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(2,3-dichlorophenyl)methyl-methylamino]-N-ethylacetamide
CID 2698610
N-(benzylcarbamoyl)-2-[(3,4-dichlorophenyl)methyl-methylamino]acetamide
CID 2699991
6-Amino-5-[2-[(2,3-dichlorophenyl)methyl-methylamino]acetyl]-1-propylpyrimidine-2,4-dione
CID 4848593
6-[[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-amino]methyl]-1~{H}-pyrimidine-2,4-dione
CID 45794315
2-[3-[(3,4-Dichlorophenyl)methyl]-4,5-dimethyl-2,6-dioxopyrimidin-1-yl]acetic acid
CID 15084539

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dichlorophenyl)methyl]-3-methyl-2,6-dioxopyrimidine-4-carboxamide?
The IUPAC name of 1-[(2,3-dichlorophenyl)methyl]-3-methyl-2,6-dioxopyrimidine-4-carboxamide (CID 10914418) is 1-[(2,3-dichlorophenyl)methyl]-3-methyl-2,6-dioxopyrimidine-4-carboxamide.
What is the SMILES notation for 1-[(2,3-dichlorophenyl)methyl]-3-methyl-2,6-dioxopyrimidine-4-carboxamide?
The canonical SMILES for 1-[(2,3-dichlorophenyl)methyl]-3-methyl-2,6-dioxopyrimidine-4-carboxamide is Cn1c(C(N)=O)cc(=O)n(Cc2cccc(Cl)c2Cl)c1=O.
What is the InChIKey of 1-[(2,3-dichlorophenyl)methyl]-3-methyl-2,6-dioxopyrimidine-4-carboxamide?
The InChIKey is UCHGGLHWSWVIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O3/c1-17-9(12(16)20)5-10(19)18(13(17)21)6-7-3-2-4-8(14)11(7)15/h2-5H,6H2,1H3,(H2,16,20).
What are the key properties of 1-[(2,3-dichlorophenyl)methyl]-3-methyl-2,6-dioxopyrimidine-4-carboxamide?
1-[(2,3-dichlorophenyl)methyl]-3-methyl-2,6-dioxopyrimidine-4-carboxamide has a molecular weight of 328.16 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dichlorophenyl)methyl]-3-methyl-2,6-dioxopyrimidine-4-carboxamide is sourced from PubChem (CID 10914418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).