methyl 2-amino-6-[(2,3-dichlorophenyl)methoxy]benzoate

C15H13Cl2NO3 — CID 107341836

IUPACmethyl 2-amino-6-[(2,3-dichlorophenyl)methoxy]benzoate
SMILESCOC(=O)c1c(N)cccc1OCc1cccc(Cl)c1Cl
InChIInChI=1S/C15H13Cl2NO3/c1-20-15(19)13-11(18)6-3-7-12(13)21-8-9-4-2-5-10(16)14(9)17/h2-7H,8,18H2,1H3
InChIKeyJLHXWRRGYXRDIX-UHFFFAOYSA-N
MW326.18 g/mol
LogP3.94
Rot. Bonds4

About methyl 2-amino-6-[(2,3-dichlorophenyl)methoxy]benzoate

methyl 2-amino-6-[(2,3-dichlorophenyl)methoxy]benzoate (PubChem CID 107341836) has the molecular formula C15H13Cl2NO3 and a molecular weight of 326.18 g/mol. Its IUPAC name is methyl 2-amino-6-[(2,3-dichlorophenyl)methoxy]benzoate.

Molecular Properties

Compound Namemethyl 2-amino-6-[(2,3-dichlorophenyl)methoxy]benzoate
PubChem CID107341836
Molecular FormulaC15H13Cl2NO3
Molecular Weight326.18 g/mol
Exact Mass325.03
IUPAC Namemethyl 2-amino-6-[(2,3-dichlorophenyl)methoxy]benzoate
SMILESCOC(=O)c1c(N)cccc1OCc1cccc(Cl)c1Cl
InChIInChI=1S/C15H13Cl2NO3/c1-20-15(19)13-11(18)6-3-7-12(13)21-8-9-4-2-5-10(16)14(9)17/h2-7H,8,18H2,1H3
InChIKeyJLHXWRRGYXRDIX-UHFFFAOYSA-N
XLogP3.94
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 ≤ 53.94
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

methyl 2-amino-6-[(2-methylphenyl)methoxy]benzoate
CID 107341726
methyl 2-amino-6-[(3-chloro-4-pyridinyl)methoxy]benzoate
CID 107341776
methyl 2-amino-6-[(4-chlorophenyl)methoxy]benzoate
CID 107341908
methyl 2-amino-6-[[2-(hydroxymethyl)phenoxy]methyl]benzoate
CID 104825496
methyl 2-amino-6-[(2-chloro-6-fluorophenoxy)methyl]benzoate
CID 104825565
methyl 2-amino-6-[(2-chlorophenyl)methoxymethyl]benzoate
CID 104825360
methyl 2-amino-6-[(2-methylsulfanylphenoxy)methyl]benzoate
CID 104825492
methyl 2-amino-6-[(2-bromo-5-fluorophenyl)methoxy]benzoate
CID 107341847
methyl 2-amino-6-chlorobenzoate;hydrochloride
CID 84819290
methyl 2-amino-6-(3-methoxypropoxy)benzoate
CID 107341764
2-amino-6-[(2-chloro-3-fluorophenyl)methoxy]benzoic acid
CID 107341591
methyl 2-amino-6-[(3-chlorophenoxy)methyl]benzoate
CID 104825327

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-6-[(2,3-dichlorophenyl)methoxy]benzoate?
The IUPAC name of methyl 2-amino-6-[(2,3-dichlorophenyl)methoxy]benzoate (CID 107341836) is methyl 2-amino-6-[(2,3-dichlorophenyl)methoxy]benzoate.
What is the SMILES notation for methyl 2-amino-6-[(2,3-dichlorophenyl)methoxy]benzoate?
The canonical SMILES for methyl 2-amino-6-[(2,3-dichlorophenyl)methoxy]benzoate is COC(=O)c1c(N)cccc1OCc1cccc(Cl)c1Cl.
What is the InChIKey of methyl 2-amino-6-[(2,3-dichlorophenyl)methoxy]benzoate?
The InChIKey is JLHXWRRGYXRDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO3/c1-20-15(19)13-11(18)6-3-7-12(13)21-8-9-4-2-5-10(16)14(9)17/h2-7H,8,18H2,1H3.
What are the key properties of methyl 2-amino-6-[(2,3-dichlorophenyl)methoxy]benzoate?
methyl 2-amino-6-[(2,3-dichlorophenyl)methoxy]benzoate has a molecular weight of 326.18 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-6-[(2,3-dichlorophenyl)methoxy]benzoate is sourced from PubChem (CID 107341836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).