3,5-bis[(2-chlorophenyl)methoxy]-N-(5-chloropyrazin-2-yl)benzamide

C25H18Cl3N3O3 — CID 59735837

IUPAC3,5-bis[(2-chlorophenyl)methoxy]-N-(5-chloropyrazin-2-yl)benzamide
SMILESO=C(Nc1cnc(Cl)cn1)c1cc(OCc2ccccc2Cl)cc(OCc2ccccc2Cl)c1
InChIInChI=1S/C25H18Cl3N3O3/c26-21-7-3-1-5-16(21)14-33-19-9-18(25(32)31-24-13-29-23(28)12-30-24)10-20(11-19)34-15-17-6-2-4-8-22(17)27/h1-13H,14-15H2,(H,30,31,32)
InChIKeyIAJOEHDWMIFSOT-UHFFFAOYSA-N
MW514.80 g/mol
LogP6.85
Rot. Bonds8

About 3,5-bis[(2-chlorophenyl)methoxy]-N-(5-chloropyrazin-2-yl)benzamide

3,5-bis[(2-chlorophenyl)methoxy]-N-(5-chloropyrazin-2-yl)benzamide (PubChem CID 59735837) has the molecular formula C25H18Cl3N3O3 and a molecular weight of 514.80 g/mol. Its IUPAC name is 3,5-bis[(2-chlorophenyl)methoxy]-N-(5-chloropyrazin-2-yl)benzamide.

Molecular Properties

Compound Name3,5-bis[(2-chlorophenyl)methoxy]-N-(5-chloropyrazin-2-yl)benzamide
PubChem CID59735837
Molecular FormulaC25H18Cl3N3O3
Molecular Weight514.80 g/mol
Exact Mass513.04
IUPAC Name3,5-bis[(2-chlorophenyl)methoxy]-N-(5-chloropyrazin-2-yl)benzamide
SMILESO=C(Nc1cnc(Cl)cn1)c1cc(OCc2ccccc2Cl)cc(OCc2ccccc2Cl)c1
InChIInChI=1S/C25H18Cl3N3O3/c26-21-7-3-1-5-16(21)14-33-19-9-18(25(32)31-24-13-29-23(28)12-30-24)10-20(11-19)34-15-17-6-2-4-8-22(17)27/h1-13H,14-15H2,(H,30,31,32)
InChIKeyIAJOEHDWMIFSOT-UHFFFAOYSA-N
XLogP6.85
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.80
LogP ≤ 56.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-amino-2-pyridinyl)-3-[(2-chlorophenyl)methoxy]-5-[(2-cyanophenyl)methoxy]benzamide
CID 23124061
3-[(2-chlorophenyl)methoxy]-N-(6-methyl-2-pyridinyl)benzamide
CID 30155682
N-(5-chloropyrazin-2-yl)-3-propoxybenzamide
CID 107595713
4-[(2-chlorophenyl)methoxy]-N-phenylbenzamide
CID 8813243
3-chloro-N-(5-chloropyrazin-2-yl)-4-fluorobenzamide
CID 107595855
N-(5-chloropyrazin-2-yl)-3-methylbenzamide
CID 104964166
4-[(2-chlorophenyl)methoxy]-N-(3,5-dimethylphenyl)benzamide
CID 8813300
3-[(2-chlorophenyl)methoxy]-N-(3-methoxyphenyl)benzamide
CID 30155561
3-[(2S)-butan-2-yl]oxy-N-(5-methylpyrazin-2-yl)-5-phenylmethoxybenzamide
CID 143391703
3-[(2-chlorophenyl)methoxy]-N-[2-(trifluoromethyl)phenyl]benzamide
CID 30155523
N-(5-acetyl-2-pyridinyl)-3,5-bis(phenylmethoxy)benzamide
CID 142197494
4-[(2-chlorophenyl)methoxy]-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 6462000

Frequently Asked Questions

What is the IUPAC name of 3,5-bis[(2-chlorophenyl)methoxy]-N-(5-chloropyrazin-2-yl)benzamide?
The IUPAC name of 3,5-bis[(2-chlorophenyl)methoxy]-N-(5-chloropyrazin-2-yl)benzamide (CID 59735837) is 3,5-bis[(2-chlorophenyl)methoxy]-N-(5-chloropyrazin-2-yl)benzamide.
What is the SMILES notation for 3,5-bis[(2-chlorophenyl)methoxy]-N-(5-chloropyrazin-2-yl)benzamide?
The canonical SMILES for 3,5-bis[(2-chlorophenyl)methoxy]-N-(5-chloropyrazin-2-yl)benzamide is O=C(Nc1cnc(Cl)cn1)c1cc(OCc2ccccc2Cl)cc(OCc2ccccc2Cl)c1.
What is the InChIKey of 3,5-bis[(2-chlorophenyl)methoxy]-N-(5-chloropyrazin-2-yl)benzamide?
The InChIKey is IAJOEHDWMIFSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18Cl3N3O3/c26-21-7-3-1-5-16(21)14-33-19-9-18(25(32)31-24-13-29-23(28)12-30-24)10-20(11-19)34-15-17-6-2-4-8-22(17)27/h1-13H,14-15H2,(H,30,31,32).
What are the key properties of 3,5-bis[(2-chlorophenyl)methoxy]-N-(5-chloropyrazin-2-yl)benzamide?
3,5-bis[(2-chlorophenyl)methoxy]-N-(5-chloropyrazin-2-yl)benzamide has a molecular weight of 514.80 g/mol, XLogP of 6.85, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis[(2-chlorophenyl)methoxy]-N-(5-chloropyrazin-2-yl)benzamide is sourced from PubChem (CID 59735837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).