methyl 2-chloro-5-(3-chloropropanoylamino)benzoate

C11H11Cl2NO3 — CID 43696506

IUPACmethyl 2-chloro-5-(3-chloropropanoylamino)benzoate
SMILESCOC(=O)c1cc(NC(=O)CCCl)ccc1Cl
InChIInChI=1S/C11H11Cl2NO3/c1-17-11(16)8-6-7(2-3-9(8)13)14-10(15)4-5-12/h2-3,6H,4-5H2,1H3,(H,14,15)
InChIKeyFAYOEYWJWCEYIH-UHFFFAOYSA-N
MW276.12 g/mol
LogP2.69
Rot. Bonds4

About methyl 2-chloro-5-(3-chloropropanoylamino)benzoate

methyl 2-chloro-5-(3-chloropropanoylamino)benzoate (PubChem CID 43696506) has the molecular formula C11H11Cl2NO3 and a molecular weight of 276.12 g/mol. Its IUPAC name is methyl 2-chloro-5-(3-chloropropanoylamino)benzoate.

Molecular Properties

Compound Namemethyl 2-chloro-5-(3-chloropropanoylamino)benzoate
PubChem CID43696506
Molecular FormulaC11H11Cl2NO3
Molecular Weight276.12 g/mol
Exact Mass275.01
IUPAC Namemethyl 2-chloro-5-(3-chloropropanoylamino)benzoate
SMILESCOC(=O)c1cc(NC(=O)CCCl)ccc1Cl
InChIInChI=1S/C11H11Cl2NO3/c1-17-11(16)8-6-7(2-3-9(8)13)14-10(15)4-5-12/h2-3,6H,4-5H2,1H3,(H,14,15)
InChIKeyFAYOEYWJWCEYIH-UHFFFAOYSA-N
XLogP2.69
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.12
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 2-chloro-5-(3-chloropropanoylamino)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-chloro-5-(4-chlorobutanoylamino)benzoate
CID 55204060
2-chloro-5-(3-chloropropanoylamino)benzoic acid
CID 43701853
methyl 5-[(5-amino-4-methylpentanoyl)amino]-2-chlorobenzoate
CID 82011968
methyl 2-chloro-5-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]benzoate
CID 110306530
methyl 2-chloro-5-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]benzoate
CID 38239611
methyl 2-chloro-5-[[2-(2-methylphenyl)acetyl]amino]benzoate
CID 38239137
methyl 2-chloro-5-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoate
CID 38236695
methyl 2-chloro-5-[(4-chlorophenyl)carbamoylamino]benzoate
CID 84514488
methyl 2-chloro-5-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzoate
CID 38238559
N-(4-acetamido-3-chlorophenyl)-3-chloropropanamide
CID 43167983
methyl 2-chloro-5-[[2-(3-methoxyphenoxy)acetyl]amino]benzoate
CID 94600273
methyl 5-[(2-chloroacetyl)amino]-2-fluorobenzoate
CID 43346810

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-5-(3-chloropropanoylamino)benzoate?
The IUPAC name of methyl 2-chloro-5-(3-chloropropanoylamino)benzoate (CID 43696506) is methyl 2-chloro-5-(3-chloropropanoylamino)benzoate.
What is the SMILES notation for methyl 2-chloro-5-(3-chloropropanoylamino)benzoate?
The canonical SMILES for methyl 2-chloro-5-(3-chloropropanoylamino)benzoate is COC(=O)c1cc(NC(=O)CCCl)ccc1Cl.
What is the InChIKey of methyl 2-chloro-5-(3-chloropropanoylamino)benzoate?
The InChIKey is FAYOEYWJWCEYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO3/c1-17-11(16)8-6-7(2-3-9(8)13)14-10(15)4-5-12/h2-3,6H,4-5H2,1H3,(H,14,15).
What are the key properties of methyl 2-chloro-5-(3-chloropropanoylamino)benzoate?
methyl 2-chloro-5-(3-chloropropanoylamino)benzoate has a molecular weight of 276.12 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-5-(3-chloropropanoylamino)benzoate is sourced from PubChem (CID 43696506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).