ethyl 4-amino-3-(3,4-dichlorophenoxy)benzoate

C15H13Cl2NO3 — CID 82775766

IUPACethyl 4-amino-3-(3,4-dichlorophenoxy)benzoate
SMILESCCOC(=O)c1ccc(N)c(Oc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C15H13Cl2NO3/c1-2-20-15(19)9-3-6-13(18)14(7-9)21-10-4-5-11(16)12(17)8-10/h3-8H,2,18H2,1H3
InChIKeyRWYFLNVMVUUAGD-UHFFFAOYSA-N
MW326.18 g/mol
LogP4.54
Rot. Bonds4

About ethyl 4-amino-3-(3,4-dichlorophenoxy)benzoate

ethyl 4-amino-3-(3,4-dichlorophenoxy)benzoate (PubChem CID 82775766) has the molecular formula C15H13Cl2NO3 and a molecular weight of 326.18 g/mol. Its IUPAC name is ethyl 4-amino-3-(3,4-dichlorophenoxy)benzoate.

Molecular Properties

Compound Nameethyl 4-amino-3-(3,4-dichlorophenoxy)benzoate
PubChem CID82775766
Molecular FormulaC15H13Cl2NO3
Molecular Weight326.18 g/mol
Exact Mass325.03
IUPAC Nameethyl 4-amino-3-(3,4-dichlorophenoxy)benzoate
SMILESCCOC(=O)c1ccc(N)c(Oc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C15H13Cl2NO3/c1-2-20-15(19)9-3-6-13(18)14(7-9)21-10-4-5-11(16)12(17)8-10/h3-8H,2,18H2,1H3
InChIKeyRWYFLNVMVUUAGD-UHFFFAOYSA-N
XLogP4.54
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 6,7-dichloronaphthalene-2-carboxylate
CID 10588016
ethyl 3-[(2-amino-3-pyridinyl)oxy]-4-chlorobenzoate
CID 66995186
ethyl 4-amino-3-(1,3,5-trimethylpyrazol-4-yl)oxybenzoate
CID 82778841
methyl 4-amino-3-(4-methylphenoxy)benzoate
CID 79017162
ethyl 2-(4-amino-3-chlorophenoxy)-4-methylpyrimidine-5-carboxylate
CID 83180063
ethyl 4-amino-3-(2,2-difluoroethoxy)benzoate
CID 82796062
ethyl 3-amino-4-(3,5-dimethylphenoxy)benzoate
CID 63423547
ethyl 4-(4-acetamido-2-chlorophenoxy)benzoate
CID 132591036
ethyl 4-amino-3-hydroxybenzoate
CID 12784565
ethyl 1,4-dichloroisoquinoline-7-carboxylate
CID 18698389
ethyl 4-amino-3-phenylmethoxybenzoate
CID 79021529
ethyl 6-(4-aminophenoxy)-5-chloropyridine-3-carboxylate
CID 121281075

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-3-(3,4-dichlorophenoxy)benzoate?
The IUPAC name of ethyl 4-amino-3-(3,4-dichlorophenoxy)benzoate (CID 82775766) is ethyl 4-amino-3-(3,4-dichlorophenoxy)benzoate.
What is the SMILES notation for ethyl 4-amino-3-(3,4-dichlorophenoxy)benzoate?
The canonical SMILES for ethyl 4-amino-3-(3,4-dichlorophenoxy)benzoate is CCOC(=O)c1ccc(N)c(Oc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of ethyl 4-amino-3-(3,4-dichlorophenoxy)benzoate?
The InChIKey is RWYFLNVMVUUAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO3/c1-2-20-15(19)9-3-6-13(18)14(7-9)21-10-4-5-11(16)12(17)8-10/h3-8H,2,18H2,1H3.
What are the key properties of ethyl 4-amino-3-(3,4-dichlorophenoxy)benzoate?
ethyl 4-amino-3-(3,4-dichlorophenoxy)benzoate has a molecular weight of 326.18 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-3-(3,4-dichlorophenoxy)benzoate is sourced from PubChem (CID 82775766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).