5-chloro-4-methoxy-2-methyl-N-pyrimidin-2-ylbenzamide

C13H12ClN3O2 — CID 110762122

IUPAC5-chloro-4-methoxy-2-methyl-N-pyrimidin-2-ylbenzamide
SMILESCOc1cc(C)c(C(=O)Nc2ncccn2)cc1Cl
InChIInChI=1S/C13H12ClN3O2/c1-8-6-11(19-2)10(14)7-9(8)12(18)17-13-15-4-3-5-16-13/h3-7H,1-2H3,(H,15,16,17,18)
InChIKeyBTTUZLUTFORBCS-UHFFFAOYSA-N
MW277.71 g/mol
LogP2.70
Rot. Bonds3

About 5-chloro-4-methoxy-2-methyl-N-pyrimidin-2-ylbenzamide

5-chloro-4-methoxy-2-methyl-N-pyrimidin-2-ylbenzamide (PubChem CID 110762122) has the molecular formula C13H12ClN3O2 and a molecular weight of 277.71 g/mol. Its IUPAC name is 5-chloro-4-methoxy-2-methyl-N-pyrimidin-2-ylbenzamide.

Molecular Properties

Compound Name5-chloro-4-methoxy-2-methyl-N-pyrimidin-2-ylbenzamide
PubChem CID110762122
Molecular FormulaC13H12ClN3O2
Molecular Weight277.71 g/mol
Exact Mass277.06
IUPAC Name5-chloro-4-methoxy-2-methyl-N-pyrimidin-2-ylbenzamide
SMILESCOc1cc(C)c(C(=O)Nc2ncccn2)cc1Cl
InChIInChI=1S/C13H12ClN3O2/c1-8-6-11(19-2)10(14)7-9(8)12(18)17-13-15-4-3-5-16-13/h3-7H,1-2H3,(H,15,16,17,18)
InChIKeyBTTUZLUTFORBCS-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

5-chloro-4-ethoxy-2-methyl-N-pyrimidin-2-ylbenzamide
CID 110762158
2-methoxy-4,5-dimethyl-N-pyrimidin-2-ylbenzamide
CID 110761559
2,4,5-trimethyl-N-pyrimidin-2-ylbenzamide
CID 110763140
5-chloro-2-methoxy-3-methyl-N-pyrimidin-2-ylbenzamide
CID 110763000
5-chloro-2-methoxy-4-methyl-N-pyridin-2-ylbenzamide
CID 110762069
4-methoxy-2,3,5-trimethyl-N-pyrimidin-2-ylbenzamide
CID 110762901
2-(5-chloro-4-methoxy-2-methylphenyl)-2-oxoacetic acid
CID 82288292
(5-chloro-4-methoxy-2-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110762112
N-(4-chloro-2,5-dimethoxyphenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 100715402
4-hydroxy-2-methyl-N-pyrimidin-2-ylbenzamide
CID 103872165
4-fluoro-2-methyl-N-pyrimidin-2-ylbenzamide
CID 115745693
[4-(5-chloro-4-methoxy-2-methylbenzoyl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 110814060

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-methoxy-2-methyl-N-pyrimidin-2-ylbenzamide?
The IUPAC name of 5-chloro-4-methoxy-2-methyl-N-pyrimidin-2-ylbenzamide (CID 110762122) is 5-chloro-4-methoxy-2-methyl-N-pyrimidin-2-ylbenzamide.
What is the SMILES notation for 5-chloro-4-methoxy-2-methyl-N-pyrimidin-2-ylbenzamide?
The canonical SMILES for 5-chloro-4-methoxy-2-methyl-N-pyrimidin-2-ylbenzamide is COc1cc(C)c(C(=O)Nc2ncccn2)cc1Cl.
What is the InChIKey of 5-chloro-4-methoxy-2-methyl-N-pyrimidin-2-ylbenzamide?
The InChIKey is BTTUZLUTFORBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O2/c1-8-6-11(19-2)10(14)7-9(8)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-4-methoxy-2-methyl-N-pyrimidin-2-ylbenzamide?
5-chloro-4-methoxy-2-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-4-methoxy-2-methyl-N-pyrimidin-2-ylbenzamide is sourced from PubChem (CID 110762122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).