2-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]phenyl]acetamide

C14H13Cl2N3O — CID 86712740

IUPAC2-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]phenyl]acetamide
SMILESNC(=O)Cc1ccccc1CCc1nc(Cl)ncc1Cl
InChIInChI=1S/C14H13Cl2N3O/c15-11-8-18-14(16)19-12(11)6-5-9-3-1-2-4-10(9)7-13(17)20/h1-4,8H,5-7H2,(H2,17,20)
InChIKeyIHKOPRUUDHGJAQ-UHFFFAOYSA-N
MW310.18 g/mol
LogP2.60
Rot. Bonds5

About 2-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]phenyl]acetamide

2-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]phenyl]acetamide (PubChem CID 86712740) has the molecular formula C14H13Cl2N3O and a molecular weight of 310.18 g/mol. Its IUPAC name is 2-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]phenyl]acetamide.

Molecular Properties

Compound Name2-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]phenyl]acetamide
PubChem CID86712740
Molecular FormulaC14H13Cl2N3O
Molecular Weight310.18 g/mol
Exact Mass309.04
IUPAC Name2-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]phenyl]acetamide
SMILESNC(=O)Cc1ccccc1CCc1nc(Cl)ncc1Cl
InChIInChI=1S/C14H13Cl2N3O/c15-11-8-18-14(16)19-12(11)6-5-9-3-1-2-4-10(9)7-13(17)20/h1-4,8H,5-7H2,(H2,17,20)
InChIKeyIHKOPRUUDHGJAQ-UHFFFAOYSA-N
XLogP2.60
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]phenyl]acetamide?
The IUPAC name of 2-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]phenyl]acetamide (CID 86712740) is 2-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]phenyl]acetamide.
What is the SMILES notation for 2-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]phenyl]acetamide?
The canonical SMILES for 2-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]phenyl]acetamide is NC(=O)Cc1ccccc1CCc1nc(Cl)ncc1Cl.
What is the InChIKey of 2-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]phenyl]acetamide?
The InChIKey is IHKOPRUUDHGJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O/c15-11-8-18-14(16)19-12(11)6-5-9-3-1-2-4-10(9)7-13(17)20/h1-4,8H,5-7H2,(H2,17,20).
What are the key properties of 2-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]phenyl]acetamide?
2-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]phenyl]acetamide has a molecular weight of 310.18 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]phenyl]acetamide is sourced from PubChem (CID 86712740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).