2-(4-chloro-3,5-dimethylphenoxy)-N-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)imino]acetamide

C14H13ClN4O5 — CID 3097032

IUPAC2-(4-chloro-3,5-dimethylphenoxy)-N-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)imino]acetamide
SMILESCc1cc(OCC(=O)/N=N/c2c(O)[nH]c(=O)[nH]c2=O)cc(C)c1Cl
InChIInChI=1S/C14H13ClN4O5/c1-6-3-8(4-7(2)10(6)15)24-5-9(20)18-19-11-12(21)16-14(23)17-13(11)22/h3-4H,5H2,1-2H3,(H3,16,17,21,22,23)/b19-18+
InChIKeyRXWISPINUDDJEE-VHEBQXMUSA-N
MW352.73 g/mol
LogP1.73
Rot. Bonds4

About 2-(4-chloro-3,5-dimethylphenoxy)-N-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)imino]acetamide

2-(4-chloro-3,5-dimethylphenoxy)-N-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)imino]acetamide (PubChem CID 3097032) has the molecular formula C14H13ClN4O5 and a molecular weight of 352.73 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylphenoxy)-N-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)imino]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylphenoxy)-N-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)imino]acetamide
PubChem CID3097032
Molecular FormulaC14H13ClN4O5
Molecular Weight352.73 g/mol
Exact Mass352.06
IUPAC Name2-(4-chloro-3,5-dimethylphenoxy)-N-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)imino]acetamide
SMILESCc1cc(OCC(=O)/N=N/c2c(O)[nH]c(=O)[nH]c2=O)cc(C)c1Cl
InChIInChI=1S/C14H13ClN4O5/c1-6-3-8(4-7(2)10(6)15)24-5-9(20)18-19-11-12(21)16-14(23)17-13(11)22/h3-4H,5H2,1-2H3,(H3,16,17,21,22,23)/b19-18+
InChIKeyRXWISPINUDDJEE-VHEBQXMUSA-N
XLogP1.73
TPSA136.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.73
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

N-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)imino]-2-(2-methylphenoxy)acetamide
CID 2846909
N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]-2-(4-methylphenoxy)acetamide
CID 3566388
2-(4-fluorophenoxy)-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]acetamide
CID 135620348
N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-(2,5-dimethylphenoxy)acetamide
CID 135983081
(4-chloro-3,5-dimethylphenyl) 2-(4-chloro-3,5-dimethylphenoxy)acetate
CID 19170867
5-[(3,4-dimethylphenyl)diazenyl]-6-hydroxy-1H-pyrimidine-2,4-dione
CID 135997650
1-(4-chloro-3,5-dimethylphenoxy)-3-methoxypropan-2-one
CID 107508114
1-(4-chloro-3,5-dimethylphenoxy)-3-methylbutan-2-one
CID 78949200
N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 135582389
N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-2-ethoxyacetohydrazide
CID 17140821
N-[(6-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-(4-nitrophenoxy)acetamide
CID 3480340
4-(4-chloro-3,5-dimethylphenoxy)butan-2-one
CID 39246924

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)imino]acetamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)imino]acetamide (CID 3097032) is 2-(4-chloro-3,5-dimethylphenoxy)-N-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)imino]acetamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylphenoxy)-N-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)imino]acetamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylphenoxy)-N-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)imino]acetamide is Cc1cc(OCC(=O)/N=N/c2c(O)[nH]c(=O)[nH]c2=O)cc(C)c1Cl.
What is the InChIKey of 2-(4-chloro-3,5-dimethylphenoxy)-N-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)imino]acetamide?
The InChIKey is RXWISPINUDDJEE-VHEBQXMUSA-N. The full InChI is InChI=1S/C14H13ClN4O5/c1-6-3-8(4-7(2)10(6)15)24-5-9(20)18-19-11-12(21)16-14(23)17-13(11)22/h3-4H,5H2,1-2H3,(H3,16,17,21,22,23)/b19-18+.
What are the key properties of 2-(4-chloro-3,5-dimethylphenoxy)-N-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)imino]acetamide?
2-(4-chloro-3,5-dimethylphenoxy)-N-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)imino]acetamide has a molecular weight of 352.73 g/mol, XLogP of 1.73, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylphenoxy)-N-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)imino]acetamide is sourced from PubChem (CID 3097032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).