N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide

C16H16ClN3O3 — CID 136661930

IUPACN-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
SMILESCc1nc(C)c(CC(=O)Nc2cc(Cl)cc3c2OCC3)c(=O)[nH]1
InChIInChI=1S/C16H16ClN3O3/c1-8-12(16(22)19-9(2)18-8)7-14(21)20-13-6-11(17)5-10-3-4-23-15(10)13/h5-6H,3-4,7H2,1-2H3,(H,20,21)(H,18,19,22)
InChIKeyWMTWYMKYGALFTF-UHFFFAOYSA-N
MW333.78 g/mol
LogP2.16
Rot. Bonds3

About N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide

N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide (PubChem CID 136661930) has the molecular formula C16H16ClN3O3 and a molecular weight of 333.78 g/mol. Its IUPAC name is N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
PubChem CID136661930
Molecular FormulaC16H16ClN3O3
Molecular Weight333.78 g/mol
Exact Mass333.09
IUPAC NameN-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
SMILESCc1nc(C)c(CC(=O)Nc2cc(Cl)cc3c2OCC3)c(=O)[nH]1
InChIInChI=1S/C16H16ClN3O3/c1-8-12(16(22)19-9(2)18-8)7-14(21)20-13-6-11(17)5-10-3-4-23-15(10)13/h5-6H,3-4,7H2,1-2H3,(H,20,21)(H,18,19,22)
InChIKeyWMTWYMKYGALFTF-UHFFFAOYSA-N
XLogP2.16
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
The IUPAC name of N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide (CID 136661930) is N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
The canonical SMILES for N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide is Cc1nc(C)c(CC(=O)Nc2cc(Cl)cc3c2OCC3)c(=O)[nH]1.
What is the InChIKey of N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
The InChIKey is WMTWYMKYGALFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O3/c1-8-12(16(22)19-9(2)18-8)7-14(21)20-13-6-11(17)5-10-3-4-23-15(10)13/h5-6H,3-4,7H2,1-2H3,(H,20,21)(H,18,19,22).
What are the key properties of N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide has a molecular weight of 333.78 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide is sourced from PubChem (CID 136661930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).