N-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-(1,3-dioxoisoindol-2-yl)benzamide

C27H20N4O4 — CID 108767009

IUPACN-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-(1,3-dioxoisoindol-2-yl)benzamide
SMILESCc1cc(C)nc(Oc2cccc(NC(=O)c3ccc(N4C(=O)c5ccccc5C4=O)cc3)c2)n1
InChIInChI=1S/C27H20N4O4/c1-16-14-17(2)29-27(28-16)35-21-7-5-6-19(15-21)30-24(32)18-10-12-20(13-11-18)31-25(33)22-8-3-4-9-23(22)26(31)34/h3-15H,1-2H3,(H,30,32)
InChIKeyLKVVXEDOMIGWNN-UHFFFAOYSA-N
MW464.48 g/mol
LogP4.94
Rot. Bonds5

About N-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-(1,3-dioxoisoindol-2-yl)benzamide

N-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-(1,3-dioxoisoindol-2-yl)benzamide (PubChem CID 108767009) has the molecular formula C27H20N4O4 and a molecular weight of 464.48 g/mol. Its IUPAC name is N-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-(1,3-dioxoisoindol-2-yl)benzamide.

Molecular Properties

Compound NameN-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-(1,3-dioxoisoindol-2-yl)benzamide
PubChem CID108767009
Molecular FormulaC27H20N4O4
Molecular Weight464.48 g/mol
Exact Mass464.15
IUPAC NameN-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-(1,3-dioxoisoindol-2-yl)benzamide
SMILESCc1cc(C)nc(Oc2cccc(NC(=O)c3ccc(N4C(=O)c5ccccc5C4=O)cc3)c2)n1
InChIInChI=1S/C27H20N4O4/c1-16-14-17(2)29-27(28-16)35-21-7-5-6-19(15-21)30-24(32)18-10-12-20(13-11-18)31-25(33)22-8-3-4-9-23(22)26(31)34/h3-15H,1-2H3,(H,30,32)
InChIKeyLKVVXEDOMIGWNN-UHFFFAOYSA-N
XLogP4.94
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.48
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-4-(1,3-dioxoisoindol-2-yl)benzamide
CID 108765885
N-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-1,3-dioxo-2-(pyridin-2-ylmethyl)isoindole-5-carboxamide
CID 108767006
N-(3,5-dimethoxyphenyl)-4-(1,3-dioxoisoindol-2-yl)benzamide
CID 9096856
[4-[[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]carbamoyl]phenyl] ethyl carbonate
CID 108766993
4-(1,3-dioxoisoindol-2-yl)-N-(3-methylsulfanylphenyl)benzamide
CID 9402903
4-methyl-N-(3-phenoxyphenyl)benzamide
CID 59304535
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-4-pyrrol-1-ylbenzamide
CID 56507056
methyl 4-[[4-(1,3-dioxoisoindol-2-yl)phenyl]carbamoyl]benzoate
CID 998530
4-[[4-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzamide
CID 1162393
4-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)benzamide
CID 1068099
N-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 108744733
2-(2,4-dimethylphenyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-1,3-dioxoisoindole-5-carboxamide
CID 108764944

Frequently Asked Questions

What is the IUPAC name of N-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-(1,3-dioxoisoindol-2-yl)benzamide?
The IUPAC name of N-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-(1,3-dioxoisoindol-2-yl)benzamide (CID 108767009) is N-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-(1,3-dioxoisoindol-2-yl)benzamide.
What is the SMILES notation for N-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-(1,3-dioxoisoindol-2-yl)benzamide?
The canonical SMILES for N-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-(1,3-dioxoisoindol-2-yl)benzamide is Cc1cc(C)nc(Oc2cccc(NC(=O)c3ccc(N4C(=O)c5ccccc5C4=O)cc3)c2)n1.
What is the InChIKey of N-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-(1,3-dioxoisoindol-2-yl)benzamide?
The InChIKey is LKVVXEDOMIGWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N4O4/c1-16-14-17(2)29-27(28-16)35-21-7-5-6-19(15-21)30-24(32)18-10-12-20(13-11-18)31-25(33)22-8-3-4-9-23(22)26(31)34/h3-15H,1-2H3,(H,30,32).
What are the key properties of N-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-(1,3-dioxoisoindol-2-yl)benzamide?
N-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-(1,3-dioxoisoindol-2-yl)benzamide has a molecular weight of 464.48 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-(1,3-dioxoisoindol-2-yl)benzamide is sourced from PubChem (CID 108767009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).