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

C14H14ClN3O2 — CID 110762158

IUPAC5-chloro-4-ethoxy-2-methyl-N-pyrimidin-2-ylbenzamide
SMILESCCOc1cc(C)c(C(=O)Nc2ncccn2)cc1Cl
InChIInChI=1S/C14H14ClN3O2/c1-3-20-12-7-9(2)10(8-11(12)15)13(19)18-14-16-5-4-6-17-14/h4-8H,3H2,1-2H3,(H,16,17,18,19)
InChIKeyKIYRYXUPUBAIJO-UHFFFAOYSA-N
MW291.74 g/mol
LogP3.09
Rot. Bonds4

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

5-chloro-4-ethoxy-2-methyl-N-pyrimidin-2-ylbenzamide (PubChem CID 110762158) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is 5-chloro-4-ethoxy-2-methyl-N-pyrimidin-2-ylbenzamide.

Molecular Properties

Compound Name5-chloro-4-ethoxy-2-methyl-N-pyrimidin-2-ylbenzamide
PubChem CID110762158
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Name5-chloro-4-ethoxy-2-methyl-N-pyrimidin-2-ylbenzamide
SMILESCCOc1cc(C)c(C(=O)Nc2ncccn2)cc1Cl
InChIInChI=1S/C14H14ClN3O2/c1-3-20-12-7-9(2)10(8-11(12)15)13(19)18-14-16-5-4-6-17-14/h4-8H,3H2,1-2H3,(H,16,17,18,19)
InChIKeyKIYRYXUPUBAIJO-UHFFFAOYSA-N
XLogP3.09
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-methoxy-2-methyl-N-pyrimidin-2-ylbenzamide
CID 110762122
5-chloro-4-ethoxy-2-methylbenzoic acid
CID 82284593
2,4,5-trimethyl-N-pyrimidin-2-ylbenzamide
CID 110763140
2-methoxy-4,5-dimethyl-N-pyrimidin-2-ylbenzamide
CID 110761559
2-chloro-1-(5-chloro-4-ethoxy-2-methylphenyl)ethanone
CID 82295620
1-(5-chloro-4-ethoxy-2-methylphenyl)-2-(methylamino)butan-1-one
CID 112512970
3-amino-4-ethoxy-N-pyrimidin-2-ylbenzamide
CID 61093521
5-chloro-4-ethoxy-2-methylphenol
CID 82490779
5-chloro-2-methoxy-3-methyl-N-pyrimidin-2-ylbenzamide
CID 110763000
4-hydroxy-2-methyl-N-pyrimidin-2-ylbenzamide
CID 103872165
ethyl 5-chloro-2,4-diethoxybenzoate
CID 82551541
4-fluoro-2-methyl-N-pyrimidin-2-ylbenzamide
CID 115745693

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-ethoxy-2-methyl-N-pyrimidin-2-ylbenzamide?
The IUPAC name of 5-chloro-4-ethoxy-2-methyl-N-pyrimidin-2-ylbenzamide (CID 110762158) is 5-chloro-4-ethoxy-2-methyl-N-pyrimidin-2-ylbenzamide.
What is the SMILES notation for 5-chloro-4-ethoxy-2-methyl-N-pyrimidin-2-ylbenzamide?
The canonical SMILES for 5-chloro-4-ethoxy-2-methyl-N-pyrimidin-2-ylbenzamide is CCOc1cc(C)c(C(=O)Nc2ncccn2)cc1Cl.
What is the InChIKey of 5-chloro-4-ethoxy-2-methyl-N-pyrimidin-2-ylbenzamide?
The InChIKey is KIYRYXUPUBAIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c1-3-20-12-7-9(2)10(8-11(12)15)13(19)18-14-16-5-4-6-17-14/h4-8H,3H2,1-2H3,(H,16,17,18,19).
What are the key properties of 5-chloro-4-ethoxy-2-methyl-N-pyrimidin-2-ylbenzamide?
5-chloro-4-ethoxy-2-methyl-N-pyrimidin-2-ylbenzamide has a molecular weight of 291.74 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-ethoxy-2-methyl-N-pyrimidin-2-ylbenzamide is sourced from PubChem (CID 110762158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).