2-(2,5-dichloropyrimidin-4-yl)oxy-N-methylbenzamide

C12H9Cl2N3O2 — CID 118905561

IUPAC2-(2,5-dichloropyrimidin-4-yl)oxy-N-methylbenzamide
SMILESCNC(=O)c1ccccc1Oc1nc(Cl)ncc1Cl
InChIInChI=1S/C12H9Cl2N3O2/c1-15-10(18)7-4-2-3-5-9(7)19-11-8(13)6-16-12(14)17-11/h2-6H,1H3,(H,15,18)
InChIKeyAFSJKPVZVVOBLB-UHFFFAOYSA-N
MW298.13 g/mol
LogP2.94
Rot. Bonds3

About 2-(2,5-dichloropyrimidin-4-yl)oxy-N-methylbenzamide

2-(2,5-dichloropyrimidin-4-yl)oxy-N-methylbenzamide (PubChem CID 118905561) has the molecular formula C12H9Cl2N3O2 and a molecular weight of 298.13 g/mol. Its IUPAC name is 2-(2,5-dichloropyrimidin-4-yl)oxy-N-methylbenzamide.

Molecular Properties

Compound Name2-(2,5-dichloropyrimidin-4-yl)oxy-N-methylbenzamide
PubChem CID118905561
Molecular FormulaC12H9Cl2N3O2
Molecular Weight298.13 g/mol
Exact Mass297.01
IUPAC Name2-(2,5-dichloropyrimidin-4-yl)oxy-N-methylbenzamide
SMILESCNC(=O)c1ccccc1Oc1nc(Cl)ncc1Cl
InChIInChI=1S/C12H9Cl2N3O2/c1-15-10(18)7-4-2-3-5-9(7)19-11-8(13)6-16-12(14)17-11/h2-6H,1H3,(H,15,18)
InChIKeyAFSJKPVZVVOBLB-UHFFFAOYSA-N
XLogP2.94
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.13
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-bromo-2-chloropyrimidin-4-yl)oxy-N-methylbenzamide;ethane
CID 145025563
2-(2,5-dichloropyrimidin-4-yl)oxy-N-methylbenzamide;N-ethyl-N-propan-2-ylpropan-2-amine;2-hydroxy-N-methylbenzamide;2,4,5-trichloropyrimidine
CID 157058286
2-(5-bromo-2-chloropyrimidin-4-yl)oxybenzamide
CID 79076427
[2-(2,5-dichloropyrimidin-4-yl)oxyphenyl]-dimethylphosphane
CID 144987523
2-[(3,4-dichlorophenyl)methoxy]-N-methylbenzamide
CID 13073632
2-chloro-4-(2-methoxyanilino)-N-methylpyrimidine-5-carboxamide
CID 170754075
2-[5-chloro-2-(ethylamino)pyrimidin-4-yl]oxybenzamide
CID 80862531
2,5-dichloro-4-(4-chloronaphthalen-1-yl)oxypyrimidine
CID 79633476
3-bromo-2-[(2,5-dichloropyrimidin-4-yl)amino]-N-methylbenzamide
CID 86634074
ethane;2-ethoxy-N-methylbenzamide
CID 142472808
(Z)-but-2-ene;2-methoxy-N-methylbenzamide
CID 144547446
2-[(5-chloro-2-methylpyrimidin-4-yl)-methylamino]-N-methylbenzamide
CID 123279276

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichloropyrimidin-4-yl)oxy-N-methylbenzamide?
The IUPAC name of 2-(2,5-dichloropyrimidin-4-yl)oxy-N-methylbenzamide (CID 118905561) is 2-(2,5-dichloropyrimidin-4-yl)oxy-N-methylbenzamide.
What is the SMILES notation for 2-(2,5-dichloropyrimidin-4-yl)oxy-N-methylbenzamide?
The canonical SMILES for 2-(2,5-dichloropyrimidin-4-yl)oxy-N-methylbenzamide is CNC(=O)c1ccccc1Oc1nc(Cl)ncc1Cl.
What is the InChIKey of 2-(2,5-dichloropyrimidin-4-yl)oxy-N-methylbenzamide?
The InChIKey is AFSJKPVZVVOBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N3O2/c1-15-10(18)7-4-2-3-5-9(7)19-11-8(13)6-16-12(14)17-11/h2-6H,1H3,(H,15,18).
What are the key properties of 2-(2,5-dichloropyrimidin-4-yl)oxy-N-methylbenzamide?
2-(2,5-dichloropyrimidin-4-yl)oxy-N-methylbenzamide has a molecular weight of 298.13 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichloropyrimidin-4-yl)oxy-N-methylbenzamide is sourced from PubChem (CID 118905561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).