1-[(4-chlorophenyl)methyl]-3-(3-methoxyphenyl)-2,4-dioxopyrimidine-5-carboxamide

C19H16ClN3O4 — CID 142894555

IUPAC1-[(4-chlorophenyl)methyl]-3-(3-methoxyphenyl)-2,4-dioxopyrimidine-5-carboxamide
SMILESCOc1cccc(-n2c(=O)c(C(N)=O)cn(Cc3ccc(Cl)cc3)c2=O)c1
InChIInChI=1S/C19H16ClN3O4/c1-27-15-4-2-3-14(9-15)23-18(25)16(17(21)24)11-22(19(23)26)10-12-5-7-13(20)8-6-12/h2-9,11H,10H2,1H3,(H2,21,24)
InChIKeyIDNGCSXGNRTRDK-UHFFFAOYSA-N
MW385.81 g/mol
LogP1.81
Rot. Bonds5

About 1-[(4-chlorophenyl)methyl]-3-(3-methoxyphenyl)-2,4-dioxopyrimidine-5-carboxamide

1-[(4-chlorophenyl)methyl]-3-(3-methoxyphenyl)-2,4-dioxopyrimidine-5-carboxamide (PubChem CID 142894555) has the molecular formula C19H16ClN3O4 and a molecular weight of 385.81 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-(3-methoxyphenyl)-2,4-dioxopyrimidine-5-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-(3-methoxyphenyl)-2,4-dioxopyrimidine-5-carboxamide
PubChem CID142894555
Molecular FormulaC19H16ClN3O4
Molecular Weight385.81 g/mol
Exact Mass385.08
IUPAC Name1-[(4-chlorophenyl)methyl]-3-(3-methoxyphenyl)-2,4-dioxopyrimidine-5-carboxamide
SMILESCOc1cccc(-n2c(=O)c(C(N)=O)cn(Cc3ccc(Cl)cc3)c2=O)c1
InChIInChI=1S/C19H16ClN3O4/c1-27-15-4-2-3-14(9-15)23-18(25)16(17(21)24)11-22(19(23)26)10-12-5-7-13(20)8-6-12/h2-9,11H,10H2,1H3,(H2,21,24)
InChIKeyIDNGCSXGNRTRDK-UHFFFAOYSA-N
XLogP1.81
TPSA96.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.81
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-2-imino-1-[(3-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 59151563
1-[(4-chlorophenyl)methyl]-5-[2-(3-methoxyphenyl)ethenyl]pyridin-2-one
CID 69442300
[[1-amino-2-(4-chlorophenyl)ethylidene]amino] 3-methoxybenzoate
CID 4210314
1-[(4-chlorophenyl)methyl]-N-[2-(3-methoxyphenyl)ethyl]indole-3-carboxamide
CID 166984969
1-butyl-N-[(4-chlorophenyl)methyl]-3-(3-methoxyphenyl)-2,4-dioxopyrimidine-5-carboxamide;1-butyl-3-(3-methoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]-2,4-dioxopyrimidine-5-carboxamide;3-(3-chlorophenyl)-1-(2-methoxyethyl)-2,4-dioxo-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidine-5-carboxamide
CID 87968715
[[1-amino-2-(4-chlorophenyl)ethylidene]amino] 2-(3-methoxyphenoxy)acetate
CID 4994307
5-chloro-2-imino-1-[(3-methoxyphenyl)methyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 68662284
3-(4-fluorophenyl)-1-(2-methoxyethyl)-2,4-dioxopyrimidine-5-carboxamide
CID 175771443
1-[(3-chlorophenyl)methyl]-4-(3-methoxyphenyl)pyrazine-2,3-dione
CID 22520455
methyl 1-(3-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
CID 17250728
3-(4-chlorophenyl)-1-[[(3-methoxyphenyl)methyl-methylamino]methyl]-4-methylimidazol-2-one
CID 56520583
1-[(4-methoxyphenyl)methyl]-3-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione
CID 141088850

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-(3-methoxyphenyl)-2,4-dioxopyrimidine-5-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-(3-methoxyphenyl)-2,4-dioxopyrimidine-5-carboxamide (CID 142894555) is 1-[(4-chlorophenyl)methyl]-3-(3-methoxyphenyl)-2,4-dioxopyrimidine-5-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-(3-methoxyphenyl)-2,4-dioxopyrimidine-5-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-(3-methoxyphenyl)-2,4-dioxopyrimidine-5-carboxamide is COc1cccc(-n2c(=O)c(C(N)=O)cn(Cc3ccc(Cl)cc3)c2=O)c1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-(3-methoxyphenyl)-2,4-dioxopyrimidine-5-carboxamide?
The InChIKey is IDNGCSXGNRTRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O4/c1-27-15-4-2-3-14(9-15)23-18(25)16(17(21)24)11-22(19(23)26)10-12-5-7-13(20)8-6-12/h2-9,11H,10H2,1H3,(H2,21,24).
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-(3-methoxyphenyl)-2,4-dioxopyrimidine-5-carboxamide?
1-[(4-chlorophenyl)methyl]-3-(3-methoxyphenyl)-2,4-dioxopyrimidine-5-carboxamide has a molecular weight of 385.81 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-(3-methoxyphenyl)-2,4-dioxopyrimidine-5-carboxamide is sourced from PubChem (CID 142894555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).