5-chloro-N-(2,4-dimethoxypyrimidin-5-yl)-2-methoxybenzamide

C14H14ClN3O4 — CID 71807581

IUPAC5-chloro-N-(2,4-dimethoxypyrimidin-5-yl)-2-methoxybenzamide
SMILESCOc1ncc(NC(=O)c2cc(Cl)ccc2OC)c(OC)n1
InChIInChI=1S/C14H14ClN3O4/c1-20-11-5-4-8(15)6-9(11)12(19)17-10-7-16-14(22-3)18-13(10)21-2/h4-7H,1-3H3,(H,17,19)
InChIKeyUSMSNKJMCFYPCX-UHFFFAOYSA-N
MW323.74 g/mol
LogP2.41
Rot. Bonds5

About 5-chloro-N-(2,4-dimethoxypyrimidin-5-yl)-2-methoxybenzamide

5-chloro-N-(2,4-dimethoxypyrimidin-5-yl)-2-methoxybenzamide (PubChem CID 71807581) has the molecular formula C14H14ClN3O4 and a molecular weight of 323.74 g/mol. Its IUPAC name is 5-chloro-N-(2,4-dimethoxypyrimidin-5-yl)-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-(2,4-dimethoxypyrimidin-5-yl)-2-methoxybenzamide
PubChem CID71807581
Molecular FormulaC14H14ClN3O4
Molecular Weight323.74 g/mol
Exact Mass323.07
IUPAC Name5-chloro-N-(2,4-dimethoxypyrimidin-5-yl)-2-methoxybenzamide
SMILESCOc1ncc(NC(=O)c2cc(Cl)ccc2OC)c(OC)n1
InChIInChI=1S/C14H14ClN3O4/c1-20-11-5-4-8(15)6-9(11)12(19)17-10-7-16-14(22-3)18-13(10)21-2/h4-7H,1-3H3,(H,17,19)
InChIKeyUSMSNKJMCFYPCX-UHFFFAOYSA-N
XLogP2.41
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.74
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-3-(2,4-dimethoxypyrimidin-5-yl)urea
CID 122303962
N-(2,4-dimethoxypyrimidin-5-yl)-2,6-difluorobenzamide
CID 71807571
N-(5-chloro-2-methylphenyl)-2-methoxy-4-methylpyrimidine-5-carboxamide
CID 53337921
5-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 7922079
4-tert-butyl-N-(2,4-dimethoxypyrimidin-5-yl)benzamide
CID 122303930
5-chloro-N-(2-chloro-4-hydroxyphenyl)-2-methoxybenzamide
CID 64787348
6-[(5-chloro-2-methoxybenzoyl)amino]pyridine-3-carbonyl chloride
CID 174302752
N-(2,4-dimethoxypyrimidin-5-yl)-7-methoxy-1-benzofuran-2-carboxamide
CID 122304022
N-(2-bromo-5-methylphenyl)-5-chloro-2-methoxybenzamide
CID 82707312
N-(2-amino-4-methoxyphenyl)-5-chloro-2-methoxybenzamide
CID 29274206
2,5-dichloro-N-(2-methoxy-5-methylphenyl)benzamide
CID 965623
5-chloro-2-methoxy-N-(4-methyl-2-pyridinyl)benzamide
CID 762528

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,4-dimethoxypyrimidin-5-yl)-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-(2,4-dimethoxypyrimidin-5-yl)-2-methoxybenzamide (CID 71807581) is 5-chloro-N-(2,4-dimethoxypyrimidin-5-yl)-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-(2,4-dimethoxypyrimidin-5-yl)-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-(2,4-dimethoxypyrimidin-5-yl)-2-methoxybenzamide is COc1ncc(NC(=O)c2cc(Cl)ccc2OC)c(OC)n1.
What is the InChIKey of 5-chloro-N-(2,4-dimethoxypyrimidin-5-yl)-2-methoxybenzamide?
The InChIKey is USMSNKJMCFYPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O4/c1-20-11-5-4-8(15)6-9(11)12(19)17-10-7-16-14(22-3)18-13(10)21-2/h4-7H,1-3H3,(H,17,19).
What are the key properties of 5-chloro-N-(2,4-dimethoxypyrimidin-5-yl)-2-methoxybenzamide?
5-chloro-N-(2,4-dimethoxypyrimidin-5-yl)-2-methoxybenzamide has a molecular weight of 323.74 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,4-dimethoxypyrimidin-5-yl)-2-methoxybenzamide is sourced from PubChem (CID 71807581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).