3-chloro-N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)benzamide

C15H16ClN3O2 — CID 122355868

IUPAC3-chloro-N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)benzamide
SMILESCCOc1nc(C)c(NC(=O)c2cccc(Cl)c2)c(C)n1
InChIInChI=1S/C15H16ClN3O2/c1-4-21-15-17-9(2)13(10(3)18-15)19-14(20)11-6-5-7-12(16)8-11/h5-8H,4H2,1-3H3,(H,19,20)
InChIKeyGJVADNQBRASYJI-UHFFFAOYSA-N
MW305.77 g/mol
LogP3.40
Rot. Bonds4

About 3-chloro-N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)benzamide

3-chloro-N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)benzamide (PubChem CID 122355868) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.77 g/mol. Its IUPAC name is 3-chloro-N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)benzamide
PubChem CID122355868
Molecular FormulaC15H16ClN3O2
Molecular Weight305.77 g/mol
Exact Mass305.09
IUPAC Name3-chloro-N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)benzamide
SMILESCCOc1nc(C)c(NC(=O)c2cccc(Cl)c2)c(C)n1
InChIInChI=1S/C15H16ClN3O2/c1-4-21-15-17-9(2)13(10(3)18-15)19-14(20)11-6-5-7-12(16)8-11/h5-8H,4H2,1-3H3,(H,19,20)
InChIKeyGJVADNQBRASYJI-UHFFFAOYSA-N
XLogP3.40
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)benzamide
CID 104817083
N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)naphthalene-1-carboxamide
CID 122355985
N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2-methylbenzamide
CID 122355854
N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-3,5-dinitrobenzamide
CID 122356187
3-chloro-N-(2-ethoxy-3-pyridinyl)benzamide
CID 34958850
3-chloro-N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 122357054
3-chloro-N-(4,6-dichloropyrimidin-5-yl)benzamide
CID 114074797
N-(2-amino-6-methylphenyl)-3-chlorobenzamide
CID 43152332
N-(5-acetyl-2-ethoxyphenyl)-3-chlorobenzamide
CID 94763103
N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2-(trifluoromethyl)benzamide
CID 122355870
ethyl N-[(3-chlorobenzoyl)amino]carbamate
CID 7979102
3-chloro-N-(2,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide
CID 53017924

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)benzamide?
The IUPAC name of 3-chloro-N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)benzamide (CID 122355868) is 3-chloro-N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)benzamide.
What is the SMILES notation for 3-chloro-N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)benzamide?
The canonical SMILES for 3-chloro-N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)benzamide is CCOc1nc(C)c(NC(=O)c2cccc(Cl)c2)c(C)n1.
What is the InChIKey of 3-chloro-N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)benzamide?
The InChIKey is GJVADNQBRASYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c1-4-21-15-17-9(2)13(10(3)18-15)19-14(20)11-6-5-7-12(16)8-11/h5-8H,4H2,1-3H3,(H,19,20).
What are the key properties of 3-chloro-N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)benzamide?
3-chloro-N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)benzamide has a molecular weight of 305.77 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)benzamide is sourced from PubChem (CID 122355868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).