2-(2-chlorophenyl)-N-[3-[2-(methoxymethyl)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]acetamide

C18H20ClN3O3 — CID 136665156

IUPAC2-(2-chlorophenyl)-N-[3-[2-(methoxymethyl)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]acetamide
SMILESCOCc1nc(C2CC(NC(=O)Cc3ccccc3Cl)C2)cc(=O)[nH]1
InChIInChI=1S/C18H20ClN3O3/c1-25-10-16-21-15(9-18(24)22-16)12-6-13(7-12)20-17(23)8-11-4-2-3-5-14(11)19/h2-5,9,12-13H,6-8,10H2,1H3,(H,20,23)(H,21,22,24)
InChIKeyNPWVGOIDUZCRAV-UHFFFAOYSA-N
MW361.83 g/mol
LogP2.17
Rot. Bonds6

About 2-(2-chlorophenyl)-N-[3-[2-(methoxymethyl)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]acetamide

2-(2-chlorophenyl)-N-[3-[2-(methoxymethyl)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]acetamide (PubChem CID 136665156) has the molecular formula C18H20ClN3O3 and a molecular weight of 361.83 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[3-[2-(methoxymethyl)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[3-[2-(methoxymethyl)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]acetamide
PubChem CID136665156
Molecular FormulaC18H20ClN3O3
Molecular Weight361.83 g/mol
Exact Mass361.12
IUPAC Name2-(2-chlorophenyl)-N-[3-[2-(methoxymethyl)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]acetamide
SMILESCOCc1nc(C2CC(NC(=O)Cc3ccccc3Cl)C2)cc(=O)[nH]1
InChIInChI=1S/C18H20ClN3O3/c1-25-10-16-21-15(9-18(24)22-16)12-6-13(7-12)20-17(23)8-11-4-2-3-5-14(11)19/h2-5,9,12-13H,6-8,10H2,1H3,(H,20,23)(H,21,22,24)
InChIKeyNPWVGOIDUZCRAV-UHFFFAOYSA-N
XLogP2.17
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[3-[2-(methoxymethyl)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[3-[2-(methoxymethyl)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]acetamide (CID 136665156) is 2-(2-chlorophenyl)-N-[3-[2-(methoxymethyl)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[3-[2-(methoxymethyl)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[3-[2-(methoxymethyl)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]acetamide is COCc1nc(C2CC(NC(=O)Cc3ccccc3Cl)C2)cc(=O)[nH]1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[3-[2-(methoxymethyl)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]acetamide?
The InChIKey is NPWVGOIDUZCRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3/c1-25-10-16-21-15(9-18(24)22-16)12-6-13(7-12)20-17(23)8-11-4-2-3-5-14(11)19/h2-5,9,12-13H,6-8,10H2,1H3,(H,20,23)(H,21,22,24).
What are the key properties of 2-(2-chlorophenyl)-N-[3-[2-(methoxymethyl)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]acetamide?
2-(2-chlorophenyl)-N-[3-[2-(methoxymethyl)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]acetamide has a molecular weight of 361.83 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[3-[2-(methoxymethyl)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]acetamide is sourced from PubChem (CID 136665156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).