3-[(2-chlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide

C20H18ClN3O4 — CID 121027123

IUPAC3-[(2-chlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCOc1cccc(CNC(=O)c2c[nH]c(=O)n(Cc3ccccc3Cl)c2=O)c1
InChIInChI=1S/C20H18ClN3O4/c1-28-15-7-4-5-13(9-15)10-22-18(25)16-11-23-20(27)24(19(16)26)12-14-6-2-3-8-17(14)21/h2-9,11H,10,12H2,1H3,(H,22,25)(H,23,27)
InChIKeyRHQQPCDMPOTTNB-UHFFFAOYSA-N
MW399.83 g/mol
LogP2.18
Rot. Bonds6

About 3-[(2-chlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide

3-[(2-chlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 121027123) has the molecular formula C20H18ClN3O4 and a molecular weight of 399.83 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID121027123
Molecular FormulaC20H18ClN3O4
Molecular Weight399.83 g/mol
Exact Mass399.10
IUPAC Name3-[(2-chlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCOc1cccc(CNC(=O)c2c[nH]c(=O)n(Cc3ccccc3Cl)c2=O)c1
InChIInChI=1S/C20H18ClN3O4/c1-28-15-7-4-5-13(9-15)10-22-18(25)16-11-23-20(27)24(19(16)26)12-14-6-2-3-8-17(14)21/h2-9,11H,10,12H2,1H3,(H,22,25)(H,23,27)
InChIKeyRHQQPCDMPOTTNB-UHFFFAOYSA-N
XLogP2.18
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.83
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-chlorophenyl)methyl]-N-[2-(4-methoxyphenyl)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121027104
3-[(2-chlorophenyl)methyl]-N-(2,2-dimethoxyethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121026988
3-[(2-chlorophenyl)methyl]-2,4-dioxo-N-(2-phenoxyethyl)-1H-pyrimidine-5-carboxamide
CID 121027252
1-[(2-chlorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 38157251
3-[(2-chlorophenyl)methyl]-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121027245
3-[(2-chlorophenyl)methyl]-2,4-dioxo-N-(4-phenylbutan-2-yl)-1H-pyrimidine-5-carboxamide
CID 121027269
3-[(2-chlorophenyl)methyl]-2,4-dioxo-N-phenyl-1H-pyrimidine-5-carboxamide
CID 121027030
N-[(2-chlorophenyl)methyl]-2-(3-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide
CID 6625975
3-[(2-chlorophenyl)methyl]-2,4-dioxo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrimidine-5-carboxamide
CID 121027307
3-[(2-chlorophenyl)methyl]-N-(4-methylpiperazin-1-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121027149
3-[(2-chlorophenyl)methyl]-N-(4-methylsulfanylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121027254
2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[(3-methoxyphenyl)methyl]benzamide
CID 17433808

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 3-[(2-chlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 121027123) is 3-[(2-chlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 3-[(2-chlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 3-[(2-chlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide is COc1cccc(CNC(=O)c2c[nH]c(=O)n(Cc3ccccc3Cl)c2=O)c1.
What is the InChIKey of 3-[(2-chlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is RHQQPCDMPOTTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O4/c1-28-15-7-4-5-13(9-15)10-22-18(25)16-11-23-20(27)24(19(16)26)12-14-6-2-3-8-17(14)21/h2-9,11H,10,12H2,1H3,(H,22,25)(H,23,27).
What are the key properties of 3-[(2-chlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
3-[(2-chlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 399.83 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 121027123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).