methyl 4-[[3-(4-chlorophenyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]amino]benzoate

C19H14ClN3O5 — CID 7137362

IUPACmethyl 4-[[3-(4-chlorophenyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2c[nH]c(=O)n(-c3ccc(Cl)cc3)c2=O)cc1
InChIInChI=1S/C19H14ClN3O5/c1-28-18(26)11-2-6-13(7-3-11)22-16(24)15-10-21-19(27)23(17(15)25)14-8-4-12(20)5-9-14/h2-10H,1H3,(H,21,27)(H,22,24)
InChIKeyMWUKGXJJBPDSJW-UHFFFAOYSA-N
MW399.79 g/mol
LogP2.22
Rot. Bonds4

About methyl 4-[[3-(4-chlorophenyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]amino]benzoate

methyl 4-[[3-(4-chlorophenyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]amino]benzoate (PubChem CID 7137362) has the molecular formula C19H14ClN3O5 and a molecular weight of 399.79 g/mol. Its IUPAC name is methyl 4-[[3-(4-chlorophenyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[3-(4-chlorophenyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]amino]benzoate
PubChem CID7137362
Molecular FormulaC19H14ClN3O5
Molecular Weight399.79 g/mol
Exact Mass399.06
IUPAC Namemethyl 4-[[3-(4-chlorophenyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2c[nH]c(=O)n(-c3ccc(Cl)cc3)c2=O)cc1
InChIInChI=1S/C19H14ClN3O5/c1-28-18(26)11-2-6-13(7-3-11)22-16(24)15-10-21-19(27)23(17(15)25)14-8-4-12(20)5-9-14/h2-10H,1H3,(H,21,27)(H,22,24)
InChIKeyMWUKGXJJBPDSJW-UHFFFAOYSA-N
XLogP2.22
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.79
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 4-[[3-(4-chlorophenyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]amino]benzoate with MolForge

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Related Compounds

methyl 4-[[3-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]amino]benzoate
CID 7137421
3-(4-chlorophenyl)-2,4-dioxo-N-[4-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxamide
CID 7137355
N-(4-carbamoylphenyl)-3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 5096654
N,3-bis(3,4-dimethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 41028331
N-(4-ethylphenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide
CID 3473028
2,4-dioxo-3-phenyl-N-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carboxamide
CID 3473471
N-(4-acetylphenyl)-3-(3-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 4113283
N-(3-fluoro-4-methylphenyl)-3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 7137394
N-(4-bromophenyl)-3-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 7137416
N-(3,5-dichlorophenyl)-3-(3-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 7080837
N-(3,4-dichlorophenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide
CID 16815209
N-(3-chlorophenyl)-3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 4108044

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[3-(4-chlorophenyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]amino]benzoate?
The IUPAC name of methyl 4-[[3-(4-chlorophenyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]amino]benzoate (CID 7137362) is methyl 4-[[3-(4-chlorophenyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[3-(4-chlorophenyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]amino]benzoate?
The canonical SMILES for methyl 4-[[3-(4-chlorophenyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]amino]benzoate is COC(=O)c1ccc(NC(=O)c2c[nH]c(=O)n(-c3ccc(Cl)cc3)c2=O)cc1.
What is the InChIKey of methyl 4-[[3-(4-chlorophenyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]amino]benzoate?
The InChIKey is MWUKGXJJBPDSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O5/c1-28-18(26)11-2-6-13(7-3-11)22-16(24)15-10-21-19(27)23(17(15)25)14-8-4-12(20)5-9-14/h2-10H,1H3,(H,21,27)(H,22,24).
What are the key properties of methyl 4-[[3-(4-chlorophenyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]amino]benzoate?
methyl 4-[[3-(4-chlorophenyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]amino]benzoate has a molecular weight of 399.79 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[3-(4-chlorophenyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]amino]benzoate is sourced from PubChem (CID 7137362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).