2-(2,4-dichlorophenoxy)acetamide;pyrimidine

C12H11Cl2N3O2 — CID 161375836

IUPAC2-(2,4-dichlorophenoxy)acetamide;pyrimidine
SMILESNC(=O)COc1ccc(Cl)cc1Cl.c1cncnc1
InChIInChI=1S/C8H7Cl2NO2.C4H4N2/c9-5-1-2-7(6(10)3-5)13-4-8(11)12;1-2-5-4-6-3-1/h1-3H,4H2,(H2,11,12);1-4H
InChIKeyVRBJTBFDLRKAQF-UHFFFAOYSA-N
MW300.14 g/mol
LogP2.33
Rot. Bonds3

About 2-(2,4-dichlorophenoxy)acetamide;pyrimidine

2-(2,4-dichlorophenoxy)acetamide;pyrimidine (PubChem CID 161375836) has the molecular formula C12H11Cl2N3O2 and a molecular weight of 300.14 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)acetamide;pyrimidine.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)acetamide;pyrimidine
PubChem CID161375836
Molecular FormulaC12H11Cl2N3O2
Molecular Weight300.14 g/mol
Exact Mass299.02
IUPAC Name2-(2,4-dichlorophenoxy)acetamide;pyrimidine
SMILESNC(=O)COc1ccc(Cl)cc1Cl.c1cncnc1
InChIInChI=1S/C8H7Cl2NO2.C4H4N2/c9-5-1-2-7(6(10)3-5)13-4-8(11)12;1-2-5-4-6-3-1/h1-3H,4H2,(H2,11,12);1-4H
InChIKeyVRBJTBFDLRKAQF-UHFFFAOYSA-N
XLogP2.33
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.14
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dichlorophenoxy)acetamide;pyrimidine
CID 174543969
2-(4-amino-2-chlorophenoxy)acetamide
CID 16790617
2-(2,4-dichlorophenoxy)-N-pyridin-2-ylacetamide
CID 792334
3-(2,4-dichlorophenoxy)-2,2-dimethylpropanamide
CID 82090673
sodium 2-(2,4-dichlorophenoxy)acetic acid
CID 91996937
tris(2-(2,4-dichlorophenoxy)acetic acid);samarium
CID 164580360
2-[4-chloro-2-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetamide
CID 17054003
disodium bis(2-(2,4-dichlorophenoxy)acetate)
CID 66727836
calcium;2-(2,4-dichlorophenoxy)acetic acid;hydride
CID 173483555
ethyl 2-(2,4-dichlorophenoxy)acetate
CID 10780
N-[[amino(pyridin-4-yl)methylidene]amino]-2-(2,4-dichlorophenoxy)acetamide
CID 4749356
deuterio 2-(2,4-dichlorophenoxy)acetate
CID 138395985

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)acetamide;pyrimidine?
The IUPAC name of 2-(2,4-dichlorophenoxy)acetamide;pyrimidine (CID 161375836) is 2-(2,4-dichlorophenoxy)acetamide;pyrimidine.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)acetamide;pyrimidine?
The canonical SMILES for 2-(2,4-dichlorophenoxy)acetamide;pyrimidine is NC(=O)COc1ccc(Cl)cc1Cl.c1cncnc1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)acetamide;pyrimidine?
The InChIKey is VRBJTBFDLRKAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2NO2.C4H4N2/c9-5-1-2-7(6(10)3-5)13-4-8(11)12;1-2-5-4-6-3-1/h1-3H,4H2,(H2,11,12);1-4H.
What are the key properties of 2-(2,4-dichlorophenoxy)acetamide;pyrimidine?
2-(2,4-dichlorophenoxy)acetamide;pyrimidine has a molecular weight of 300.14 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)acetamide;pyrimidine is sourced from PubChem (CID 161375836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).