methyl 2-[2-(2,4-dichlorophenoxy)propanoylamino]benzoate

C17H15Cl2NO4 — CID 2807434

IUPACmethyl 2-[2-(2,4-dichlorophenoxy)propanoylamino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C(C)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H15Cl2NO4/c1-10(24-15-8-7-11(18)9-13(15)19)16(21)20-14-6-4-3-5-12(14)17(22)23-2/h3-10H,1-2H3,(H,20,21)
InChIKeyGTNUHGRYMNVKBX-UHFFFAOYSA-N
MW368.22 g/mol
LogP4.19
Rot. Bonds5

About methyl 2-[2-(2,4-dichlorophenoxy)propanoylamino]benzoate

methyl 2-[2-(2,4-dichlorophenoxy)propanoylamino]benzoate (PubChem CID 2807434) has the molecular formula C17H15Cl2NO4 and a molecular weight of 368.22 g/mol. Its IUPAC name is methyl 2-[2-(2,4-dichlorophenoxy)propanoylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-[2-(2,4-dichlorophenoxy)propanoylamino]benzoate
PubChem CID2807434
Molecular FormulaC17H15Cl2NO4
Molecular Weight368.22 g/mol
Exact Mass367.04
IUPAC Namemethyl 2-[2-(2,4-dichlorophenoxy)propanoylamino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C(C)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H15Cl2NO4/c1-10(24-15-8-7-11(18)9-13(15)19)16(21)20-14-6-4-3-5-12(14)17(22)23-2/h3-10H,1-2H3,(H,20,21)
InChIKeyGTNUHGRYMNVKBX-UHFFFAOYSA-N
XLogP4.19
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.22
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[2-(2,4,5-trichlorophenoxy)propanoylamino]benzoate
CID 4645599
2-[2-(2,4-dichlorophenoxy)propanoylamino]benzamide
CID 3579546
2-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]benzamide
CID 1335501
(2R)-2-(2,4-dichlorophenoxy)-N-(2-fluorophenyl)propanamide
CID 881150
(2R)-2-(2,4-dichlorophenoxy)-N-(2-ethylphenyl)propanamide
CID 785428
(2S)-2-(2,4-dichlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 7720105
N-(3-acetamido-2-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 134019274
(2R)-2-(2,4-dichlorophenoxy)-N-(2,3,4-trifluorophenyl)propanamide
CID 2110698
4-chloro-2-[2-(2,4-dichlorophenoxy)propanoylamino]benzoic acid
CID 2943352
methyl 3-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]-4-methylbenzoate
CID 2122611
2-[[(2R)-2-(2-bromo-4-chlorophenoxy)propanoyl]amino]benzamide
CID 40771324
(2S)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 1300506

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(2,4-dichlorophenoxy)propanoylamino]benzoate?
The IUPAC name of methyl 2-[2-(2,4-dichlorophenoxy)propanoylamino]benzoate (CID 2807434) is methyl 2-[2-(2,4-dichlorophenoxy)propanoylamino]benzoate.
What is the SMILES notation for methyl 2-[2-(2,4-dichlorophenoxy)propanoylamino]benzoate?
The canonical SMILES for methyl 2-[2-(2,4-dichlorophenoxy)propanoylamino]benzoate is COC(=O)c1ccccc1NC(=O)C(C)Oc1ccc(Cl)cc1Cl.
What is the InChIKey of methyl 2-[2-(2,4-dichlorophenoxy)propanoylamino]benzoate?
The InChIKey is GTNUHGRYMNVKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO4/c1-10(24-15-8-7-11(18)9-13(15)19)16(21)20-14-6-4-3-5-12(14)17(22)23-2/h3-10H,1-2H3,(H,20,21).
What are the key properties of methyl 2-[2-(2,4-dichlorophenoxy)propanoylamino]benzoate?
methyl 2-[2-(2,4-dichlorophenoxy)propanoylamino]benzoate has a molecular weight of 368.22 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2,4-dichlorophenoxy)propanoylamino]benzoate is sourced from PubChem (CID 2807434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).