5-chloro-2-methoxy-N-[2-(2-oxopyrimidin-1-yl)ethyl]benzamide

C14H14ClN3O3 — CID 131703162

IUPAC5-chloro-2-methoxy-N-[2-(2-oxopyrimidin-1-yl)ethyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCCn1cccnc1=O
InChIInChI=1S/C14H14ClN3O3/c1-21-12-4-3-10(15)9-11(12)13(19)16-6-8-18-7-2-5-17-14(18)20/h2-5,7,9H,6,8H2,1H3,(H,16,19)
InChIKeyLYFRQTVLEIMPMP-UHFFFAOYSA-N
MW307.74 g/mol
LogP1.34
Rot. Bonds5

About 5-chloro-2-methoxy-N-[2-(2-oxopyrimidin-1-yl)ethyl]benzamide

5-chloro-2-methoxy-N-[2-(2-oxopyrimidin-1-yl)ethyl]benzamide (PubChem CID 131703162) has the molecular formula C14H14ClN3O3 and a molecular weight of 307.74 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[2-(2-oxopyrimidin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[2-(2-oxopyrimidin-1-yl)ethyl]benzamide
PubChem CID131703162
Molecular FormulaC14H14ClN3O3
Molecular Weight307.74 g/mol
Exact Mass307.07
IUPAC Name5-chloro-2-methoxy-N-[2-(2-oxopyrimidin-1-yl)ethyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCCn1cccnc1=O
InChIInChI=1S/C14H14ClN3O3/c1-21-12-4-3-10(15)9-11(12)13(19)16-6-8-18-7-2-5-17-14(18)20/h2-5,7,9H,6,8H2,1H3,(H,16,19)
InChIKeyLYFRQTVLEIMPMP-UHFFFAOYSA-N
XLogP1.34
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[2-(2-oxopyrimidin-1-yl)ethyl]benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-[2-(2-oxopyrimidin-1-yl)ethyl]benzamide (CID 131703162) is 5-chloro-2-methoxy-N-[2-(2-oxopyrimidin-1-yl)ethyl]benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[2-(2-oxopyrimidin-1-yl)ethyl]benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[2-(2-oxopyrimidin-1-yl)ethyl]benzamide is COc1ccc(Cl)cc1C(=O)NCCn1cccnc1=O.
What is the InChIKey of 5-chloro-2-methoxy-N-[2-(2-oxopyrimidin-1-yl)ethyl]benzamide?
The InChIKey is LYFRQTVLEIMPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O3/c1-21-12-4-3-10(15)9-11(12)13(19)16-6-8-18-7-2-5-17-14(18)20/h2-5,7,9H,6,8H2,1H3,(H,16,19).
What are the key properties of 5-chloro-2-methoxy-N-[2-(2-oxopyrimidin-1-yl)ethyl]benzamide?
5-chloro-2-methoxy-N-[2-(2-oxopyrimidin-1-yl)ethyl]benzamide has a molecular weight of 307.74 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[2-(2-oxopyrimidin-1-yl)ethyl]benzamide is sourced from PubChem (CID 131703162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).