N-(5-chloro-2-methoxyphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide

C16H16ClN5O4 — CID 1116233

IUPACN-(5-chloro-2-methoxyphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C16H16ClN5O4/c1-20-14-13(15(24)21(2)16(20)25)22(8-18-14)7-12(23)19-10-6-9(17)4-5-11(10)26-3/h4-6,8H,7H2,1-3H3,(H,19,23)
InChIKeyCSNZJKMJENQLOP-UHFFFAOYSA-N
MW377.79 g/mol
LogP0.73
Rot. Bonds4

About N-(5-chloro-2-methoxyphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide

N-(5-chloro-2-methoxyphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide (PubChem CID 1116233) has the molecular formula C16H16ClN5O4 and a molecular weight of 377.79 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
PubChem CID1116233
Molecular FormulaC16H16ClN5O4
Molecular Weight377.79 g/mol
Exact Mass377.09
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C16H16ClN5O4/c1-20-14-13(15(24)21(2)16(20)25)22(8-18-14)7-12(23)19-10-6-9(17)4-5-11(10)26-3/h4-6,8H,7H2,1-3H3,(H,19,23)
InChIKeyCSNZJKMJENQLOP-UHFFFAOYSA-N
XLogP0.73
TPSA100.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.79
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide (CID 1116233) is N-(5-chloro-2-methoxyphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide is COc1ccc(Cl)cc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide?
The InChIKey is CSNZJKMJENQLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O4/c1-20-14-13(15(24)21(2)16(20)25)22(8-18-14)7-12(23)19-10-6-9(17)4-5-11(10)26-3/h4-6,8H,7H2,1-3H3,(H,19,23).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide?
N-(5-chloro-2-methoxyphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide has a molecular weight of 377.79 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide is sourced from PubChem (CID 1116233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).