3-[4-[[3-[(4-chlorophenyl)methyl]-1-ethyl-2,6-dioxopyrimidin-4-yl]amino]phenoxy]benzamide

C26H23ClN4O4 — CID 118683356

IUPAC3-[4-[[3-[(4-chlorophenyl)methyl]-1-ethyl-2,6-dioxopyrimidin-4-yl]amino]phenoxy]benzamide
SMILESCCn1c(=O)cc(Nc2ccc(Oc3cccc(C(N)=O)c3)cc2)n(Cc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C26H23ClN4O4/c1-2-30-24(32)15-23(31(26(30)34)16-17-6-8-19(27)9-7-17)29-20-10-12-21(13-11-20)35-22-5-3-4-18(14-22)25(28)33/h3-15,29H,2,16H2,1H3,(H2,28,33)
InChIKeyPHYWJKRAYHETRM-UHFFFAOYSA-N
MW490.95 g/mol
LogP4.37
Rot. Bonds8

About 3-[4-[[3-[(4-chlorophenyl)methyl]-1-ethyl-2,6-dioxopyrimidin-4-yl]amino]phenoxy]benzamide

3-[4-[[3-[(4-chlorophenyl)methyl]-1-ethyl-2,6-dioxopyrimidin-4-yl]amino]phenoxy]benzamide (PubChem CID 118683356) has the molecular formula C26H23ClN4O4 and a molecular weight of 490.95 g/mol. Its IUPAC name is 3-[4-[[3-[(4-chlorophenyl)methyl]-1-ethyl-2,6-dioxopyrimidin-4-yl]amino]phenoxy]benzamide.

Molecular Properties

Compound Name3-[4-[[3-[(4-chlorophenyl)methyl]-1-ethyl-2,6-dioxopyrimidin-4-yl]amino]phenoxy]benzamide
PubChem CID118683356
Molecular FormulaC26H23ClN4O4
Molecular Weight490.95 g/mol
Exact Mass490.14
IUPAC Name3-[4-[[3-[(4-chlorophenyl)methyl]-1-ethyl-2,6-dioxopyrimidin-4-yl]amino]phenoxy]benzamide
SMILESCCn1c(=O)cc(Nc2ccc(Oc3cccc(C(N)=O)c3)cc2)n(Cc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C26H23ClN4O4/c1-2-30-24(32)15-23(31(26(30)34)16-17-6-8-19(27)9-7-17)29-20-10-12-21(13-11-20)35-22-5-3-4-18(14-22)25(28)33/h3-15,29H,2,16H2,1H3,(H2,28,33)
InChIKeyPHYWJKRAYHETRM-UHFFFAOYSA-N
XLogP4.37
TPSA108.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.95
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[4-[[3-[(4-chlorophenyl)methyl]-1-ethyl-2,6-dioxopyrimidin-4-yl]amino]phenoxy]benzamide with MolForge

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Related Compounds

ethyl 2-[4-[[3-[(4-chlorophenyl)methyl]-1-ethyl-2,6-dioxopyrimidin-4-yl]amino]phenoxy]-1,3-thiazole-5-carboxylate
CID 118683355
3-[4-[[1-[(4-chlorophenyl)methyl]-5-(2-cyclohexyl-2-oxoethyl)-6-oxopyrimidin-2-yl]amino]phenoxy]benzoic acid;5-[4-[[3-[(4-chlorophenyl)methyl]-1-ethyl-2,6-dioxopyrimidin-4-yl]amino]phenoxy]pyridine-3-carboxylic acid
CID 158528164
6-[4-[[3-[(4-chlorophenyl)methyl]-1-ethyl-2,6-dioxopyrimidin-4-yl]amino]-2-fluorophenoxy]pyridine-2-carboxylic acid
CID 71728269
3-[[6-[[3-[(4-chlorophenyl)methyl]-1-ethyl-2,6-dioxopyrimidin-4-yl]amino]-2-methyl-3-pyridinyl]oxy]-N-diazenylbenzamide
CID 136629904
3-[4-[(2-oxo-1-pyridinyl)methyl]phenoxy]benzamide
CID 123738994
N-[4-[4-[[1-[(4-chlorophenyl)methyl]-5-ethyl-4,6-dioxo-1,3,5-triazin-2-yl]amino]phenoxy]-2-pyridinyl]propanamide
CID 130279147
4-[4-[[1-[(4-chlorophenyl)methyl]-5-ethyl-4,6-dioxo-1,3,5-triazin-2-yl]amino]phenoxy]pyridine-2-carboxylic acid
CID 130278392
1-[(4-chlorophenyl)methyl]-6-[4-[(3-fluoro-2-pyridinyl)oxy]anilino]-3-[2-methyl-3-oxo-3-(sulfinoamino)propyl]-2,4-dioxopyrimidine
CID 172524181
1-[(4-chlorophenyl)methyl]-6-[4-[(5-chloro-2-pyridinyl)oxy]anilino]-3-[2,2-dimethyl-3-oxo-3-(sulfinatoamino)propyl]-2,4-dioxopyrimidine
CID 172524191
3-[4-(carbamoylamino)phenoxy]benzamide
CID 142646919
methyl 2-[3-[4-[[1-[(4-chlorophenyl)methyl]-6-oxo-5-(2-oxobutyl)pyrimidin-2-yl]amino]phenoxy]phenyl]acetate
CID 160775736
N-[5-[4-[[1-[(4-chlorophenyl)methyl]-5-ethyl-4,6-dioxo-1,3,5-triazin-2-yl]amino]phenoxy]-2-pyridinyl]propanamide
CID 118945672

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[3-[(4-chlorophenyl)methyl]-1-ethyl-2,6-dioxopyrimidin-4-yl]amino]phenoxy]benzamide?
The IUPAC name of 3-[4-[[3-[(4-chlorophenyl)methyl]-1-ethyl-2,6-dioxopyrimidin-4-yl]amino]phenoxy]benzamide (CID 118683356) is 3-[4-[[3-[(4-chlorophenyl)methyl]-1-ethyl-2,6-dioxopyrimidin-4-yl]amino]phenoxy]benzamide.
What is the SMILES notation for 3-[4-[[3-[(4-chlorophenyl)methyl]-1-ethyl-2,6-dioxopyrimidin-4-yl]amino]phenoxy]benzamide?
The canonical SMILES for 3-[4-[[3-[(4-chlorophenyl)methyl]-1-ethyl-2,6-dioxopyrimidin-4-yl]amino]phenoxy]benzamide is CCn1c(=O)cc(Nc2ccc(Oc3cccc(C(N)=O)c3)cc2)n(Cc2ccc(Cl)cc2)c1=O.
What is the InChIKey of 3-[4-[[3-[(4-chlorophenyl)methyl]-1-ethyl-2,6-dioxopyrimidin-4-yl]amino]phenoxy]benzamide?
The InChIKey is PHYWJKRAYHETRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN4O4/c1-2-30-24(32)15-23(31(26(30)34)16-17-6-8-19(27)9-7-17)29-20-10-12-21(13-11-20)35-22-5-3-4-18(14-22)25(28)33/h3-15,29H,2,16H2,1H3,(H2,28,33).
What are the key properties of 3-[4-[[3-[(4-chlorophenyl)methyl]-1-ethyl-2,6-dioxopyrimidin-4-yl]amino]phenoxy]benzamide?
3-[4-[[3-[(4-chlorophenyl)methyl]-1-ethyl-2,6-dioxopyrimidin-4-yl]amino]phenoxy]benzamide has a molecular weight of 490.95 g/mol, XLogP of 4.37, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[3-[(4-chlorophenyl)methyl]-1-ethyl-2,6-dioxopyrimidin-4-yl]amino]phenoxy]benzamide is sourced from PubChem (CID 118683356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).