methyl 2-[(2,6-dichlorobenzoyl)amino]prop-2-enoate

C11H9Cl2NO3 — CID 58915057

IUPACmethyl 2-[(2,6-dichlorobenzoyl)amino]prop-2-enoate
SMILESC=C(NC(=O)c1c(Cl)cccc1Cl)C(=O)OC
InChIInChI=1S/C11H9Cl2NO3/c1-6(11(16)17-2)14-10(15)9-7(12)4-3-5-8(9)13/h3-5H,1H2,2H3,(H,14,15)
InChIKeyHTZKWSKZNSPGFG-UHFFFAOYSA-N
MW274.10 g/mol
LogP2.41
Rot. Bonds3

About methyl 2-[(2,6-dichlorobenzoyl)amino]prop-2-enoate

methyl 2-[(2,6-dichlorobenzoyl)amino]prop-2-enoate (PubChem CID 58915057) has the molecular formula C11H9Cl2NO3 and a molecular weight of 274.10 g/mol. Its IUPAC name is methyl 2-[(2,6-dichlorobenzoyl)amino]prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-[(2,6-dichlorobenzoyl)amino]prop-2-enoate
PubChem CID58915057
Molecular FormulaC11H9Cl2NO3
Molecular Weight274.10 g/mol
Exact Mass273.00
IUPAC Namemethyl 2-[(2,6-dichlorobenzoyl)amino]prop-2-enoate
SMILESC=C(NC(=O)c1c(Cl)cccc1Cl)C(=O)OC
InChIInChI=1S/C11H9Cl2NO3/c1-6(11(16)17-2)14-10(15)9-7(12)4-3-5-8(9)13/h3-5H,1H2,2H3,(H,14,15)
InChIKeyHTZKWSKZNSPGFG-UHFFFAOYSA-N
XLogP2.41
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.10
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,6-dichlorobenzoyl)amino]prop-2-enoate?
The IUPAC name of methyl 2-[(2,6-dichlorobenzoyl)amino]prop-2-enoate (CID 58915057) is methyl 2-[(2,6-dichlorobenzoyl)amino]prop-2-enoate.
What is the SMILES notation for methyl 2-[(2,6-dichlorobenzoyl)amino]prop-2-enoate?
The canonical SMILES for methyl 2-[(2,6-dichlorobenzoyl)amino]prop-2-enoate is C=C(NC(=O)c1c(Cl)cccc1Cl)C(=O)OC.
What is the InChIKey of methyl 2-[(2,6-dichlorobenzoyl)amino]prop-2-enoate?
The InChIKey is HTZKWSKZNSPGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2NO3/c1-6(11(16)17-2)14-10(15)9-7(12)4-3-5-8(9)13/h3-5H,1H2,2H3,(H,14,15).
What are the key properties of methyl 2-[(2,6-dichlorobenzoyl)amino]prop-2-enoate?
methyl 2-[(2,6-dichlorobenzoyl)amino]prop-2-enoate has a molecular weight of 274.10 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,6-dichlorobenzoyl)amino]prop-2-enoate is sourced from PubChem (CID 58915057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).