2-chloro-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide

C14H14ClN3O2 — CID 71795125

IUPAC2-chloro-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide
SMILESCc1cc(=O)n(CCNC(=O)c2ccccc2Cl)cn1
InChIInChI=1S/C14H14ClN3O2/c1-10-8-13(19)18(9-17-10)7-6-16-14(20)11-4-2-3-5-12(11)15/h2-5,8-9H,6-7H2,1H3,(H,16,20)
InChIKeyGIZLZNQGRXSIEJ-UHFFFAOYSA-N
MW291.74 g/mol
LogP1.64
Rot. Bonds4

About 2-chloro-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide

2-chloro-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide (PubChem CID 71795125) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is 2-chloro-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide
PubChem CID71795125
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Name2-chloro-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide
SMILESCc1cc(=O)n(CCNC(=O)c2ccccc2Cl)cn1
InChIInChI=1S/C14H14ClN3O2/c1-10-8-13(19)18(9-17-10)7-6-16-14(20)11-4-2-3-5-12(11)15/h2-5,8-9H,6-7H2,1H3,(H,16,20)
InChIKeyGIZLZNQGRXSIEJ-UHFFFAOYSA-N
XLogP1.64
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide (CID 71795125) is 2-chloro-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide is Cc1cc(=O)n(CCNC(=O)c2ccccc2Cl)cn1.
What is the InChIKey of 2-chloro-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide?
The InChIKey is GIZLZNQGRXSIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c1-10-8-13(19)18(9-17-10)7-6-16-14(20)11-4-2-3-5-12(11)15/h2-5,8-9H,6-7H2,1H3,(H,16,20).
What are the key properties of 2-chloro-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide?
2-chloro-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide has a molecular weight of 291.74 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide is sourced from PubChem (CID 71795125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).