2-(2-chloro-5-methylphenoxy)-N-(prop-2-enylcarbamoyl)acetamide

C13H15ClN2O3 — CID 112775456

IUPAC2-(2-chloro-5-methylphenoxy)-N-(prop-2-enylcarbamoyl)acetamide
SMILESC=CCNC(=O)NC(=O)COc1cc(C)ccc1Cl
InChIInChI=1S/C13H15ClN2O3/c1-3-6-15-13(18)16-12(17)8-19-11-7-9(2)4-5-10(11)14/h3-5,7H,1,6,8H2,2H3,(H2,15,16,17,18)
InChIKeyOVNVFGAGNXZJOG-UHFFFAOYSA-N
MW282.73 g/mol
LogP2.04
Rot. Bonds5

About 2-(2-chloro-5-methylphenoxy)-N-(prop-2-enylcarbamoyl)acetamide

2-(2-chloro-5-methylphenoxy)-N-(prop-2-enylcarbamoyl)acetamide (PubChem CID 112775456) has the molecular formula C13H15ClN2O3 and a molecular weight of 282.73 g/mol. Its IUPAC name is 2-(2-chloro-5-methylphenoxy)-N-(prop-2-enylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-5-methylphenoxy)-N-(prop-2-enylcarbamoyl)acetamide
PubChem CID112775456
Molecular FormulaC13H15ClN2O3
Molecular Weight282.73 g/mol
Exact Mass282.08
IUPAC Name2-(2-chloro-5-methylphenoxy)-N-(prop-2-enylcarbamoyl)acetamide
SMILESC=CCNC(=O)NC(=O)COc1cc(C)ccc1Cl
InChIInChI=1S/C13H15ClN2O3/c1-3-6-15-13(18)16-12(17)8-19-11-7-9(2)4-5-10(11)14/h3-5,7H,1,6,8H2,2H3,(H2,15,16,17,18)
InChIKeyOVNVFGAGNXZJOG-UHFFFAOYSA-N
XLogP2.04
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloro-5-methylphenoxy)-N-(2-methylpropyl)acetamide
CID 60623551
N-(4-acetamidophenyl)-2-(2-chloro-5-methylphenoxy)acetamide
CID 7731856
2-(3-chlorophenoxy)-N-(prop-2-enylcarbamoyl)acetamide
CID 2707683
2-(2-chloro-5-methylphenoxy)-N-[(2-methylcyclohexyl)carbamoyl]acetamide
CID 46786987
2-(2-chloro-5-methylphenoxy)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
CID 18160697
2-(2-chloro-5-methylphenoxy)-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65031935
2-(2-chloro-5-methylphenoxy)-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 2677051
2-(2-chloro-5-methylphenoxy)-N-(4-phenoxyphenyl)acetamide
CID 7917293
1-[(2-chloro-5-methylphenoxy)methyl]-N-prop-2-enylpyrazole-3-carboxamide
CID 19275546
2-(2-chloro-5-methylphenoxy)-N-(2-chlorophenyl)acetamide
CID 2611371
N-butan-2-yl-2-(2-chloro-5-methylphenoxy)acetamide
CID 60623539
2-(2-chloro-5-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 78770055

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methylphenoxy)-N-(prop-2-enylcarbamoyl)acetamide?
The IUPAC name of 2-(2-chloro-5-methylphenoxy)-N-(prop-2-enylcarbamoyl)acetamide (CID 112775456) is 2-(2-chloro-5-methylphenoxy)-N-(prop-2-enylcarbamoyl)acetamide.
What is the SMILES notation for 2-(2-chloro-5-methylphenoxy)-N-(prop-2-enylcarbamoyl)acetamide?
The canonical SMILES for 2-(2-chloro-5-methylphenoxy)-N-(prop-2-enylcarbamoyl)acetamide is C=CCNC(=O)NC(=O)COc1cc(C)ccc1Cl.
What is the InChIKey of 2-(2-chloro-5-methylphenoxy)-N-(prop-2-enylcarbamoyl)acetamide?
The InChIKey is OVNVFGAGNXZJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3/c1-3-6-15-13(18)16-12(17)8-19-11-7-9(2)4-5-10(11)14/h3-5,7H,1,6,8H2,2H3,(H2,15,16,17,18).
What are the key properties of 2-(2-chloro-5-methylphenoxy)-N-(prop-2-enylcarbamoyl)acetamide?
2-(2-chloro-5-methylphenoxy)-N-(prop-2-enylcarbamoyl)acetamide has a molecular weight of 282.73 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-methylphenoxy)-N-(prop-2-enylcarbamoyl)acetamide is sourced from PubChem (CID 112775456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).