4-chloro-N-(2,6-dimethoxypyrimidin-4-yl)benzamide

C13H12ClN3O3 — CID 698519

IUPAC4-chloro-N-(2,6-dimethoxypyrimidin-4-yl)benzamide
SMILESCOc1cc(NC(=O)c2ccc(Cl)cc2)nc(OC)n1
InChIInChI=1S/C13H12ClN3O3/c1-19-11-7-10(16-13(17-11)20-2)15-12(18)8-3-5-9(14)6-4-8/h3-7H,1-2H3,(H,15,16,17,18)
InChIKeyZKDKGRZDSREORA-UHFFFAOYSA-N
MW293.71 g/mol
LogP2.40
Rot. Bonds4

About 4-chloro-N-(2,6-dimethoxypyrimidin-4-yl)benzamide

4-chloro-N-(2,6-dimethoxypyrimidin-4-yl)benzamide (PubChem CID 698519) has the molecular formula C13H12ClN3O3 and a molecular weight of 293.71 g/mol. Its IUPAC name is 4-chloro-N-(2,6-dimethoxypyrimidin-4-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(2,6-dimethoxypyrimidin-4-yl)benzamide
PubChem CID698519
Molecular FormulaC13H12ClN3O3
Molecular Weight293.71 g/mol
Exact Mass293.06
IUPAC Name4-chloro-N-(2,6-dimethoxypyrimidin-4-yl)benzamide
SMILESCOc1cc(NC(=O)c2ccc(Cl)cc2)nc(OC)n1
InChIInChI=1S/C13H12ClN3O3/c1-19-11-7-10(16-13(17-11)20-2)15-12(18)8-3-5-9(14)6-4-8/h3-7H,1-2H3,(H,15,16,17,18)
InChIKeyZKDKGRZDSREORA-UHFFFAOYSA-N
XLogP2.40
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.71
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-N-(2,6-dimethoxypyrimidin-4-yl)benzamide
CID 698520
N-(2,6-dimethoxy-4-pyrimidinyl)-3-phenylpropanamide
CID 749283
N-{[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonothioyl}benzamide
CID 1122207
4-chloro-N-[(1R)-1-[4-(4-methoxypyrimidin-2-yl)cyclohexyl]propyl]benzamide
CID 164616903
N-(2,6-dimethoxy-4-pyrimidinyl)-2-phenylacetamide
CID 749282
N-(2,6-dimethoxypyrimidin-4-yl)-2,6-difluorobenzamide
CID 685677
4-chloro-N-[(4-chloro-6-methoxy-pyrimidin-2-yl)carbamothioyl]-2-fluoro-benzamide
CID 16078345
N-(2,6-Dimethoxy-4-pyrimidinyl)benzamide
CID 3867896
N-(2,6-dimethoxypyrimidin-4-yl)-2-fluorobenzamide
CID 702300
N-(2,6-dimethoxy-4-pyrimidinyl)-4-fluorobenzamide
CID 742738
N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-2,6-difluoro-benzamide
CID 15956667
N-[(4-chloro-6-methoxy-pyrimidin-2-yl)carbamoyl]-2,6-difluoro-benzamide
CID 15956668

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,6-dimethoxypyrimidin-4-yl)benzamide?
The IUPAC name of 4-chloro-N-(2,6-dimethoxypyrimidin-4-yl)benzamide (CID 698519) is 4-chloro-N-(2,6-dimethoxypyrimidin-4-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(2,6-dimethoxypyrimidin-4-yl)benzamide?
The canonical SMILES for 4-chloro-N-(2,6-dimethoxypyrimidin-4-yl)benzamide is COc1cc(NC(=O)c2ccc(Cl)cc2)nc(OC)n1.
What is the InChIKey of 4-chloro-N-(2,6-dimethoxypyrimidin-4-yl)benzamide?
The InChIKey is ZKDKGRZDSREORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O3/c1-19-11-7-10(16-13(17-11)20-2)15-12(18)8-3-5-9(14)6-4-8/h3-7H,1-2H3,(H,15,16,17,18).
What are the key properties of 4-chloro-N-(2,6-dimethoxypyrimidin-4-yl)benzamide?
4-chloro-N-(2,6-dimethoxypyrimidin-4-yl)benzamide has a molecular weight of 293.71 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,6-dimethoxypyrimidin-4-yl)benzamide is sourced from PubChem (CID 698519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).