N-(2,3-dichlorophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide

C16H15Cl2N5O3 — CID 16534949

IUPACN-(2,3-dichlorophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide
SMILESCC(C(=O)Nc1cccc(Cl)c1Cl)n1cnc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C16H15Cl2N5O3/c1-8(14(24)20-10-6-4-5-9(17)11(10)18)23-7-19-13-12(23)15(25)22(3)16(26)21(13)2/h4-8H,1-3H3,(H,20,24)
InChIKeyIQZAPZVIXXGHDT-UHFFFAOYSA-N
MW396.23 g/mol
LogP1.94
Rot. Bonds3

About N-(2,3-dichlorophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide

N-(2,3-dichlorophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide (PubChem CID 16534949) has the molecular formula C16H15Cl2N5O3 and a molecular weight of 396.23 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide
PubChem CID16534949
Molecular FormulaC16H15Cl2N5O3
Molecular Weight396.23 g/mol
Exact Mass395.06
IUPAC NameN-(2,3-dichlorophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide
SMILESCC(C(=O)Nc1cccc(Cl)c1Cl)n1cnc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C16H15Cl2N5O3/c1-8(14(24)20-10-6-4-5-9(17)11(10)18)23-7-19-13-12(23)15(25)22(3)16(26)21(13)2/h4-8H,1-3H3,(H,20,24)
InChIKeyIQZAPZVIXXGHDT-UHFFFAOYSA-N
XLogP1.94
TPSA90.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.23
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide?
The IUPAC name of N-(2,3-dichlorophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide (CID 16534949) is N-(2,3-dichlorophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide is CC(C(=O)Nc1cccc(Cl)c1Cl)n1cnc2c1c(=O)n(C)c(=O)n2C.
What is the InChIKey of N-(2,3-dichlorophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide?
The InChIKey is IQZAPZVIXXGHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N5O3/c1-8(14(24)20-10-6-4-5-9(17)11(10)18)23-7-19-13-12(23)15(25)22(3)16(26)21(13)2/h4-8H,1-3H3,(H,20,24).
What are the key properties of N-(2,3-dichlorophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide?
N-(2,3-dichlorophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide has a molecular weight of 396.23 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide is sourced from PubChem (CID 16534949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).