N-[2-(6-chloro-2-methylpyrimidin-4-yl)oxyphenyl]acetamide

C13H12ClN3O2 — CID 62483341

IUPACN-[2-(6-chloro-2-methylpyrimidin-4-yl)oxyphenyl]acetamide
SMILESCC(=O)Nc1ccccc1Oc1cc(Cl)nc(C)n1
InChIInChI=1S/C13H12ClN3O2/c1-8-15-12(14)7-13(16-8)19-11-6-4-3-5-10(11)17-9(2)18/h3-7H,1-2H3,(H,17,18)
InChIKeyCMVGXOPCRBHOIC-UHFFFAOYSA-N
MW277.71 g/mol
LogP3.19
Rot. Bonds3

About N-[2-(6-chloro-2-methylpyrimidin-4-yl)oxyphenyl]acetamide

N-[2-(6-chloro-2-methylpyrimidin-4-yl)oxyphenyl]acetamide (PubChem CID 62483341) has the molecular formula C13H12ClN3O2 and a molecular weight of 277.71 g/mol. Its IUPAC name is N-[2-(6-chloro-2-methylpyrimidin-4-yl)oxyphenyl]acetamide.

Molecular Properties

Compound NameN-[2-(6-chloro-2-methylpyrimidin-4-yl)oxyphenyl]acetamide
PubChem CID62483341
Molecular FormulaC13H12ClN3O2
Molecular Weight277.71 g/mol
Exact Mass277.06
IUPAC NameN-[2-(6-chloro-2-methylpyrimidin-4-yl)oxyphenyl]acetamide
SMILESCC(=O)Nc1ccccc1Oc1cc(Cl)nc(C)n1
InChIInChI=1S/C13H12ClN3O2/c1-8-15-12(14)7-13(16-8)19-11-6-4-3-5-10(11)17-9(2)18/h3-7H,1-2H3,(H,17,18)
InChIKeyCMVGXOPCRBHOIC-UHFFFAOYSA-N
XLogP3.19
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(6-chloro-4-cyano-2-pyridinyl)oxy]phenyl]acetamide
CID 83074567
N-[2-[(2-chloro-5-methyl-4-pyridinyl)oxy]phenyl]acetamide
CID 83268145
N-[2-[(4-chloro-1,3-thiazol-2-yl)oxy]phenyl]acetamide
CID 83153581
tert-butyl N-[2-(6-chloro-2-fluoropyrimidin-4-yl)oxyphenyl]carbamate
CID 133063547
4-chloro-2-methyl-6-naphthalen-1-yloxypyrimidine
CID 62482714
2-(2-acetamidophenoxy)-6-chloropyridine-3-carboxylic acid
CID 63377003
2-(2-acetamidophenoxy)-5-chloropyridine-4-carboxylic acid
CID 114916812
N-[2-[(5-amino-4-methyl-2-pyridinyl)oxy]phenyl]acetamide
CID 79175977
N-[2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)oxy]phenyl]acetamide
CID 103241223
(2-acetamidophenyl) hypochlorite
CID 150463309
N-[2-[2-(aminomethyl)-3-chlorophenoxy]phenyl]acetamide
CID 62502106
N-[2-[[6-(ethylamino)-2-pyridinyl]oxy]phenyl]acetamide
CID 80881560

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-chloro-2-methylpyrimidin-4-yl)oxyphenyl]acetamide?
The IUPAC name of N-[2-(6-chloro-2-methylpyrimidin-4-yl)oxyphenyl]acetamide (CID 62483341) is N-[2-(6-chloro-2-methylpyrimidin-4-yl)oxyphenyl]acetamide.
What is the SMILES notation for N-[2-(6-chloro-2-methylpyrimidin-4-yl)oxyphenyl]acetamide?
The canonical SMILES for N-[2-(6-chloro-2-methylpyrimidin-4-yl)oxyphenyl]acetamide is CC(=O)Nc1ccccc1Oc1cc(Cl)nc(C)n1.
What is the InChIKey of N-[2-(6-chloro-2-methylpyrimidin-4-yl)oxyphenyl]acetamide?
The InChIKey is CMVGXOPCRBHOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O2/c1-8-15-12(14)7-13(16-8)19-11-6-4-3-5-10(11)17-9(2)18/h3-7H,1-2H3,(H,17,18).
What are the key properties of N-[2-(6-chloro-2-methylpyrimidin-4-yl)oxyphenyl]acetamide?
N-[2-(6-chloro-2-methylpyrimidin-4-yl)oxyphenyl]acetamide has a molecular weight of 277.71 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-chloro-2-methylpyrimidin-4-yl)oxyphenyl]acetamide is sourced from PubChem (CID 62483341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).