methyl 4-[3-(4-chlorophenoxy)propanoylamino]benzoate

C17H16ClNO4 — CID 108802931

IUPACmethyl 4-[3-(4-chlorophenoxy)propanoylamino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)CCOc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H16ClNO4/c1-22-17(21)12-2-6-14(7-3-12)19-16(20)10-11-23-15-8-4-13(18)5-9-15/h2-9H,10-11H2,1H3,(H,19,20)
InChIKeyZVTQJHVNKNZJLG-UHFFFAOYSA-N
MW333.77 g/mol
LogP3.53
Rot. Bonds6

About methyl 4-[3-(4-chlorophenoxy)propanoylamino]benzoate

methyl 4-[3-(4-chlorophenoxy)propanoylamino]benzoate (PubChem CID 108802931) has the molecular formula C17H16ClNO4 and a molecular weight of 333.77 g/mol. Its IUPAC name is methyl 4-[3-(4-chlorophenoxy)propanoylamino]benzoate.

Molecular Properties

Compound Namemethyl 4-[3-(4-chlorophenoxy)propanoylamino]benzoate
PubChem CID108802931
Molecular FormulaC17H16ClNO4
Molecular Weight333.77 g/mol
Exact Mass333.08
IUPAC Namemethyl 4-[3-(4-chlorophenoxy)propanoylamino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)CCOc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H16ClNO4/c1-22-17(21)12-2-6-14(7-3-12)19-16(20)10-11-23-15-8-4-13(18)5-9-15/h2-9H,10-11H2,1H3,(H,19,20)
InChIKeyZVTQJHVNKNZJLG-UHFFFAOYSA-N
XLogP3.53
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.77
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]amino]benzoate
CID 27250238
methyl 4-[4-(4-acetylphenoxy)butanoylamino]benzoate
CID 7741287
methyl 4-[2-(4-chloroanilino)ethoxy]benzoate
CID 15086593
methyl 4-[4-(4-tert-butylphenoxy)butanoylamino]benzoate
CID 19173575
ethyl 4-[3-(4-methoxyphenoxy)propanoylamino]benzoate
CID 974922
methyl 4-[3-[(4-chlorobenzoyl)amino]propanoylamino]benzoate
CID 7741241
3-(4-chlorophenoxy)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
CID 108741133
methyl 4-[[2-(4-chloroanilino)-2-oxoethyl]amino]benzoate
CID 9083102
methyl 4-[3-[(4-chlorophenyl)methylamino]propanoylamino]benzoate
CID 109021898
N-[2-(4-chloroanilino)-2-oxoethyl]-3-phenoxypropanamide
CID 112997910
methyl 4-[[4-(2-methoxyethoxy)phenyl]carbamoyl]benzoate
CID 17178280
methyl 4-(5-chloropentanoylamino)benzoate
CID 11507300

Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-(4-chlorophenoxy)propanoylamino]benzoate?
The IUPAC name of methyl 4-[3-(4-chlorophenoxy)propanoylamino]benzoate (CID 108802931) is methyl 4-[3-(4-chlorophenoxy)propanoylamino]benzoate.
What is the SMILES notation for methyl 4-[3-(4-chlorophenoxy)propanoylamino]benzoate?
The canonical SMILES for methyl 4-[3-(4-chlorophenoxy)propanoylamino]benzoate is COC(=O)c1ccc(NC(=O)CCOc2ccc(Cl)cc2)cc1.
What is the InChIKey of methyl 4-[3-(4-chlorophenoxy)propanoylamino]benzoate?
The InChIKey is ZVTQJHVNKNZJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO4/c1-22-17(21)12-2-6-14(7-3-12)19-16(20)10-11-23-15-8-4-13(18)5-9-15/h2-9H,10-11H2,1H3,(H,19,20).
What are the key properties of methyl 4-[3-(4-chlorophenoxy)propanoylamino]benzoate?
methyl 4-[3-(4-chlorophenoxy)propanoylamino]benzoate has a molecular weight of 333.77 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-(4-chlorophenoxy)propanoylamino]benzoate is sourced from PubChem (CID 108802931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).