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

C12H11Cl2N3O2 — CID 174543969

IUPACN-(2,4-dichlorophenoxy)acetamide;pyrimidine
SMILESCC(=O)NOc1ccc(Cl)cc1Cl.c1cncnc1
InChIInChI=1S/C8H7Cl2NO2.C4H4N2/c1-5(12)11-13-8-3-2-6(9)4-7(8)10;1-2-5-4-6-3-1/h2-4H,1H3,(H,11,12);1-4H
InChIKeyAJQSBHIYLXSEHW-UHFFFAOYSA-N
MW300.14 g/mol
LogP2.90
Rot. Bonds2

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

N-(2,4-dichlorophenoxy)acetamide;pyrimidine (PubChem CID 174543969) has the molecular formula C12H11Cl2N3O2 and a molecular weight of 300.14 g/mol. Its IUPAC name is N-(2,4-dichlorophenoxy)acetamide;pyrimidine.

Molecular Properties

Compound NameN-(2,4-dichlorophenoxy)acetamide;pyrimidine
PubChem CID174543969
Molecular FormulaC12H11Cl2N3O2
Molecular Weight300.14 g/mol
Exact Mass299.02
IUPAC NameN-(2,4-dichlorophenoxy)acetamide;pyrimidine
SMILESCC(=O)NOc1ccc(Cl)cc1Cl.c1cncnc1
InChIInChI=1S/C8H7Cl2NO2.C4H4N2/c1-5(12)11-13-8-3-2-6(9)4-7(8)10;1-2-5-4-6-3-1/h2-4H,1H3,(H,11,12);1-4H
InChIKeyAJQSBHIYLXSEHW-UHFFFAOYSA-N
XLogP2.90
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.14
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dichlorophenoxy)acetamide;pyrimidine
CID 161375836
N-(2,4-dichlorophenoxy)methanamine
CID 174617180
(2S)-2-(2,4-dichlorophenoxy)-N-pyrimidin-2-ylpropanamide
CID 672613
2-(2,4-dichlorophenoxy)ethyl (Z)-2-acetamido-3-phenylprop-2-enoate
CID 7554951
(2R)-2-(2,4-dichlorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 881059
[[amino(pyridin-3-yl)methylidene]amino] 2-(2,4-dichlorophenoxy)propanoate
CID 2913540
[2-(2,4-dichlorophenoxy)-1-pyridin-3-ylbutyl] acetate
CID 19817142
amino (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 170104927
3-(2,4-dichlorophenoxy)but-2-enoic acid
CID 139622057
3-(2,4-dichlorophenoxy)but-2-enoyl chloride
CID 139622060
N-[2-(2,4-dichlorophenoxy)-2-(dimethylamino)ethyl]acetamide
CID 57406794
2-(2,4-dichlorophenoxy)propanoic acid
CID 8427

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenoxy)acetamide;pyrimidine?
The IUPAC name of N-(2,4-dichlorophenoxy)acetamide;pyrimidine (CID 174543969) is N-(2,4-dichlorophenoxy)acetamide;pyrimidine.
What is the SMILES notation for N-(2,4-dichlorophenoxy)acetamide;pyrimidine?
The canonical SMILES for N-(2,4-dichlorophenoxy)acetamide;pyrimidine is CC(=O)NOc1ccc(Cl)cc1Cl.c1cncnc1.
What is the InChIKey of N-(2,4-dichlorophenoxy)acetamide;pyrimidine?
The InChIKey is AJQSBHIYLXSEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2NO2.C4H4N2/c1-5(12)11-13-8-3-2-6(9)4-7(8)10;1-2-5-4-6-3-1/h2-4H,1H3,(H,11,12);1-4H.
What are the key properties of N-(2,4-dichlorophenoxy)acetamide;pyrimidine?
N-(2,4-dichlorophenoxy)acetamide;pyrimidine has a molecular weight of 300.14 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenoxy)acetamide;pyrimidine is sourced from PubChem (CID 174543969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).