propyl 4-[[2-(2,5-dichlorophenoxy)acetyl]amino]benzoate

C18H17Cl2NO4 — CID 7185050

IUPACpropyl 4-[[2-(2,5-dichlorophenoxy)acetyl]amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)COc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C18H17Cl2NO4/c1-2-9-24-18(23)12-3-6-14(7-4-12)21-17(22)11-25-16-10-13(19)5-8-15(16)20/h3-8,10H,2,9,11H2,1H3,(H,21,22)
InChIKeyWUMCMKRCGNORKP-UHFFFAOYSA-N
MW382.24 g/mol
LogP4.58
Rot. Bonds7

About propyl 4-[[2-(2,5-dichlorophenoxy)acetyl]amino]benzoate

propyl 4-[[2-(2,5-dichlorophenoxy)acetyl]amino]benzoate (PubChem CID 7185050) has the molecular formula C18H17Cl2NO4 and a molecular weight of 382.24 g/mol. Its IUPAC name is propyl 4-[[2-(2,5-dichlorophenoxy)acetyl]amino]benzoate.

Molecular Properties

Compound Namepropyl 4-[[2-(2,5-dichlorophenoxy)acetyl]amino]benzoate
PubChem CID7185050
Molecular FormulaC18H17Cl2NO4
Molecular Weight382.24 g/mol
Exact Mass381.05
IUPAC Namepropyl 4-[[2-(2,5-dichlorophenoxy)acetyl]amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)COc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C18H17Cl2NO4/c1-2-9-24-18(23)12-3-6-14(7-4-12)21-17(22)11-25-16-10-13(19)5-8-15(16)20/h3-8,10H,2,9,11H2,1H3,(H,21,22)
InChIKeyWUMCMKRCGNORKP-UHFFFAOYSA-N
XLogP4.58
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.24
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxyethyl 4-[[2-(2,5-dichlorophenoxy)acetyl]amino]benzoate
CID 19169315
pentyl 4-[[2-(2,4-dichlorophenoxy)acetyl]amino]benzoate
CID 19169101
N-(4-acetylphenyl)-2-(2,5-dichlorophenoxy)acetamide
CID 724281
ethyl 4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]benzoate
CID 5254135
2-(2,5-dichlorophenoxy)-N-[4-(methylcarbamoylamino)phenyl]acetamide
CID 46518487
2-ethoxyethyl 4-[[2-(4-chlorophenoxy)acetyl]amino]benzoate
CID 19171776
propyl 4-[[2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylacetyl]amino]benzoate
CID 7732137
2-(2,5-dichlorophenoxy)-N-(3,4-difluorophenyl)acetamide
CID 7185406
propyl 4-[[2-[2-(3-chlorophenoxy)acetyl]oxyacetyl]amino]benzoate
CID 7803729
propyl 4-[(2,5-dichlorophenyl)sulfonylamino]benzoate
CID 2842703
N-[4-[2-(2,5-dichlorophenoxy)acetyl]phenyl]acetamide
CID 51139075
3-methylbutyl 4-[[2-(2-chlorophenoxy)acetyl]amino]benzoate
CID 985948

Frequently Asked Questions

What is the IUPAC name of propyl 4-[[2-(2,5-dichlorophenoxy)acetyl]amino]benzoate?
The IUPAC name of propyl 4-[[2-(2,5-dichlorophenoxy)acetyl]amino]benzoate (CID 7185050) is propyl 4-[[2-(2,5-dichlorophenoxy)acetyl]amino]benzoate.
What is the SMILES notation for propyl 4-[[2-(2,5-dichlorophenoxy)acetyl]amino]benzoate?
The canonical SMILES for propyl 4-[[2-(2,5-dichlorophenoxy)acetyl]amino]benzoate is CCCOC(=O)c1ccc(NC(=O)COc2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of propyl 4-[[2-(2,5-dichlorophenoxy)acetyl]amino]benzoate?
The InChIKey is WUMCMKRCGNORKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO4/c1-2-9-24-18(23)12-3-6-14(7-4-12)21-17(22)11-25-16-10-13(19)5-8-15(16)20/h3-8,10H,2,9,11H2,1H3,(H,21,22).
What are the key properties of propyl 4-[[2-(2,5-dichlorophenoxy)acetyl]amino]benzoate?
propyl 4-[[2-(2,5-dichlorophenoxy)acetyl]amino]benzoate has a molecular weight of 382.24 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[[2-(2,5-dichlorophenoxy)acetyl]amino]benzoate is sourced from PubChem (CID 7185050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).