3-bromo-4-ethoxy-5-methoxy-N-(4-pyrimidin-2-yloxyphenyl)benzamide

C20H18BrN3O4 — CID 55834113

IUPAC3-bromo-4-ethoxy-5-methoxy-N-(4-pyrimidin-2-yloxyphenyl)benzamide
SMILESCCOc1c(Br)cc(C(=O)Nc2ccc(Oc3ncccn3)cc2)cc1OC
InChIInChI=1S/C20H18BrN3O4/c1-3-27-18-16(21)11-13(12-17(18)26-2)19(25)24-14-5-7-15(8-6-14)28-20-22-9-4-10-23-20/h4-12H,3H2,1-2H3,(H,24,25)
InChIKeyYMFCSCXDZXZFHF-UHFFFAOYSA-N
MW444.29 g/mol
LogP4.69
Rot. Bonds7

About 3-bromo-4-ethoxy-5-methoxy-N-(4-pyrimidin-2-yloxyphenyl)benzamide

3-bromo-4-ethoxy-5-methoxy-N-(4-pyrimidin-2-yloxyphenyl)benzamide (PubChem CID 55834113) has the molecular formula C20H18BrN3O4 and a molecular weight of 444.29 g/mol. Its IUPAC name is 3-bromo-4-ethoxy-5-methoxy-N-(4-pyrimidin-2-yloxyphenyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-ethoxy-5-methoxy-N-(4-pyrimidin-2-yloxyphenyl)benzamide
PubChem CID55834113
Molecular FormulaC20H18BrN3O4
Molecular Weight444.29 g/mol
Exact Mass443.05
IUPAC Name3-bromo-4-ethoxy-5-methoxy-N-(4-pyrimidin-2-yloxyphenyl)benzamide
SMILESCCOc1c(Br)cc(C(=O)Nc2ccc(Oc3ncccn3)cc2)cc1OC
InChIInChI=1S/C20H18BrN3O4/c1-3-27-18-16(21)11-13(12-17(18)26-2)19(25)24-14-5-7-15(8-6-14)28-20-22-9-4-10-23-20/h4-12H,3H2,1-2H3,(H,24,25)
InChIKeyYMFCSCXDZXZFHF-UHFFFAOYSA-N
XLogP4.69
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.29
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-bromo-4-ethoxy-N-(4-iodophenyl)-5-methoxybenzamide
CID 3348893
3-bromo-5-methoxy-N-phenyl-4-propoxybenzamide
CID 3931758
3-bromo-N-(4-bromophenyl)-5-methoxy-4-propoxybenzamide
CID 5213088
3-bromo-4,5-diethoxy-N-(4-ethylphenyl)benzamide
CID 3960539
3-bromo-4-ethoxy-5-methoxy-N-(4-methyl-2-pyridinyl)benzamide
CID 35027407
3-bromo-N-(4-tert-butylphenyl)-5-methoxy-4-propoxybenzamide
CID 7913907
3-bromo-4-ethoxy-5-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 4800118
3-bromo-4-ethoxy-5-methoxy-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]benzamide
CID 55700666
3-bromo-4-ethoxy-5-methoxy-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide
CID 39259896
3-bromo-4-ethoxy-N-(3-methoxyphenyl)-5-phenylmethoxybenzamide
CID 3901187
3-bromo-5-methoxy-4-propoxy-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 55812552
3,4,5-trimethoxy-N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302212

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-ethoxy-5-methoxy-N-(4-pyrimidin-2-yloxyphenyl)benzamide?
The IUPAC name of 3-bromo-4-ethoxy-5-methoxy-N-(4-pyrimidin-2-yloxyphenyl)benzamide (CID 55834113) is 3-bromo-4-ethoxy-5-methoxy-N-(4-pyrimidin-2-yloxyphenyl)benzamide.
What is the SMILES notation for 3-bromo-4-ethoxy-5-methoxy-N-(4-pyrimidin-2-yloxyphenyl)benzamide?
The canonical SMILES for 3-bromo-4-ethoxy-5-methoxy-N-(4-pyrimidin-2-yloxyphenyl)benzamide is CCOc1c(Br)cc(C(=O)Nc2ccc(Oc3ncccn3)cc2)cc1OC.
What is the InChIKey of 3-bromo-4-ethoxy-5-methoxy-N-(4-pyrimidin-2-yloxyphenyl)benzamide?
The InChIKey is YMFCSCXDZXZFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN3O4/c1-3-27-18-16(21)11-13(12-17(18)26-2)19(25)24-14-5-7-15(8-6-14)28-20-22-9-4-10-23-20/h4-12H,3H2,1-2H3,(H,24,25).
What are the key properties of 3-bromo-4-ethoxy-5-methoxy-N-(4-pyrimidin-2-yloxyphenyl)benzamide?
3-bromo-4-ethoxy-5-methoxy-N-(4-pyrimidin-2-yloxyphenyl)benzamide has a molecular weight of 444.29 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-ethoxy-5-methoxy-N-(4-pyrimidin-2-yloxyphenyl)benzamide is sourced from PubChem (CID 55834113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).