5-chloro-2-methoxy-3-methyl-N-pyrimidin-2-ylbenzamide

C13H12ClN3O2 — CID 110763000

IUPAC5-chloro-2-methoxy-3-methyl-N-pyrimidin-2-ylbenzamide
SMILESCOc1c(C)cc(Cl)cc1C(=O)Nc1ncccn1
InChIInChI=1S/C13H12ClN3O2/c1-8-6-9(14)7-10(11(8)19-2)12(18)17-13-15-4-3-5-16-13/h3-7H,1-2H3,(H,15,16,17,18)
InChIKeyLKUAPOAXHAHQAZ-UHFFFAOYSA-N
MW277.71 g/mol
LogP2.70
Rot. Bonds3

About 5-chloro-2-methoxy-3-methyl-N-pyrimidin-2-ylbenzamide

5-chloro-2-methoxy-3-methyl-N-pyrimidin-2-ylbenzamide (PubChem CID 110763000) has the molecular formula C13H12ClN3O2 and a molecular weight of 277.71 g/mol. Its IUPAC name is 5-chloro-2-methoxy-3-methyl-N-pyrimidin-2-ylbenzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-3-methyl-N-pyrimidin-2-ylbenzamide
PubChem CID110763000
Molecular FormulaC13H12ClN3O2
Molecular Weight277.71 g/mol
Exact Mass277.06
IUPAC Name5-chloro-2-methoxy-3-methyl-N-pyrimidin-2-ylbenzamide
SMILESCOc1c(C)cc(Cl)cc1C(=O)Nc1ncccn1
InChIInChI=1S/C13H12ClN3O2/c1-8-6-9(14)7-10(11(8)19-2)12(18)17-13-15-4-3-5-16-13/h3-7H,1-2H3,(H,15,16,17,18)
InChIKeyLKUAPOAXHAHQAZ-UHFFFAOYSA-N
XLogP2.70
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-2,3,5-trimethyl-N-pyrimidin-2-ylbenzamide
CID 110762901
N-(3-acetamidophenyl)-5-chloro-2-methoxy-3-methylbenzamide
CID 110762997
5-chloro-4-methoxy-2-methyl-N-pyrimidin-2-ylbenzamide
CID 110762122
5-chloro-2-methoxy-3-methyl-N-propan-2-ylbenzamide
CID 110762952
2-methoxy-4,5-dimethyl-N-pyrimidin-2-ylbenzamide
CID 110761559
3,5-dichloro-2-methoxy-N-(2-methyl-4-pyridinyl)benzamide
CID 110763061
2,4,5-trimethyl-N-pyrimidin-2-ylbenzamide
CID 110763140
3,5-dichloro-2-methoxy-N-[3-[(2-methylbenzoyl)amino]phenyl]benzamide
CID 22778984
5-bromo-N-(3-chlorophenyl)-2-methoxy-3-methylbenzamide
CID 3353174
(5-chloro-2-methoxy-3-methylphenyl)-(1-methylimidazol-2-yl)methanone
CID 82486462
5-chloro-4-ethoxy-2-methyl-N-pyrimidin-2-ylbenzamide
CID 110762158
3,5-dichloro-N-(3-fluorophenyl)-2-methoxybenzamide
CID 17102002

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-3-methyl-N-pyrimidin-2-ylbenzamide?
The IUPAC name of 5-chloro-2-methoxy-3-methyl-N-pyrimidin-2-ylbenzamide (CID 110763000) is 5-chloro-2-methoxy-3-methyl-N-pyrimidin-2-ylbenzamide.
What is the SMILES notation for 5-chloro-2-methoxy-3-methyl-N-pyrimidin-2-ylbenzamide?
The canonical SMILES for 5-chloro-2-methoxy-3-methyl-N-pyrimidin-2-ylbenzamide is COc1c(C)cc(Cl)cc1C(=O)Nc1ncccn1.
What is the InChIKey of 5-chloro-2-methoxy-3-methyl-N-pyrimidin-2-ylbenzamide?
The InChIKey is LKUAPOAXHAHQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O2/c1-8-6-9(14)7-10(11(8)19-2)12(18)17-13-15-4-3-5-16-13/h3-7H,1-2H3,(H,15,16,17,18).
What are the key properties of 5-chloro-2-methoxy-3-methyl-N-pyrimidin-2-ylbenzamide?
5-chloro-2-methoxy-3-methyl-N-pyrimidin-2-ylbenzamide has a molecular weight of 277.71 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-3-methyl-N-pyrimidin-2-ylbenzamide is sourced from PubChem (CID 110763000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).