methyl 2-amino-6-[(4-chlorophenyl)methoxy]benzoate

C15H14ClNO3 — CID 107341908

IUPACmethyl 2-amino-6-[(4-chlorophenyl)methoxy]benzoate
SMILESCOC(=O)c1c(N)cccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C15H14ClNO3/c1-19-15(18)14-12(17)3-2-4-13(14)20-9-10-5-7-11(16)8-6-10/h2-8H,9,17H2,1H3
InChIKeyRRJSVNGFLSXMIX-UHFFFAOYSA-N
MW291.73 g/mol
LogP3.29
Rot. Bonds4

About methyl 2-amino-6-[(4-chlorophenyl)methoxy]benzoate

methyl 2-amino-6-[(4-chlorophenyl)methoxy]benzoate (PubChem CID 107341908) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is methyl 2-amino-6-[(4-chlorophenyl)methoxy]benzoate.

Molecular Properties

Compound Namemethyl 2-amino-6-[(4-chlorophenyl)methoxy]benzoate
PubChem CID107341908
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC Namemethyl 2-amino-6-[(4-chlorophenyl)methoxy]benzoate
SMILESCOC(=O)c1c(N)cccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C15H14ClNO3/c1-19-15(18)14-12(17)3-2-4-13(14)20-9-10-5-7-11(16)8-6-10/h2-8H,9,17H2,1H3
InChIKeyRRJSVNGFLSXMIX-UHFFFAOYSA-N
XLogP3.29
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 53.29
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-[(2,3-dichlorophenyl)methoxy]benzoate
CID 107341836
methyl 2-amino-6-[(3-chloro-4-pyridinyl)methoxy]benzoate
CID 107341776
methyl 4-amino-3-[(4-chlorophenyl)methoxy]benzoate
CID 43380184
methyl 2-amino-6-[(2-methylphenyl)methoxy]benzoate
CID 107341726
methyl 2-amino-6-(3-methoxypropoxy)benzoate
CID 107341764
methyl 2-amino-6-(3-amino-3-oxopropoxy)benzoate
CID 107341796
methyl 2-amino-6-(2,2-difluoroethoxy)benzoate
CID 107341765
methyl 5-amino-2-[(4-chlorophenyl)methoxy]benzoate
CID 65126151
methyl 2-amino-6-(3-hydroxybutoxy)benzoate
CID 107341826
methyl 2-amino-6-(3-ethoxypropoxy)benzoate
CID 107341819
3-(3-amino-2-methoxycarbonylphenoxy)-2,2-dimethylpropanoic acid
CID 107341870
methyl 2-amino-6-[[2-(hydroxymethyl)phenoxy]methyl]benzoate
CID 104825496

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-6-[(4-chlorophenyl)methoxy]benzoate?
The IUPAC name of methyl 2-amino-6-[(4-chlorophenyl)methoxy]benzoate (CID 107341908) is methyl 2-amino-6-[(4-chlorophenyl)methoxy]benzoate.
What is the SMILES notation for methyl 2-amino-6-[(4-chlorophenyl)methoxy]benzoate?
The canonical SMILES for methyl 2-amino-6-[(4-chlorophenyl)methoxy]benzoate is COC(=O)c1c(N)cccc1OCc1ccc(Cl)cc1.
What is the InChIKey of methyl 2-amino-6-[(4-chlorophenyl)methoxy]benzoate?
The InChIKey is RRJSVNGFLSXMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3/c1-19-15(18)14-12(17)3-2-4-13(14)20-9-10-5-7-11(16)8-6-10/h2-8H,9,17H2,1H3.
What are the key properties of methyl 2-amino-6-[(4-chlorophenyl)methoxy]benzoate?
methyl 2-amino-6-[(4-chlorophenyl)methoxy]benzoate has a molecular weight of 291.73 g/mol, XLogP of 3.29, 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-[(4-chlorophenyl)methoxy]benzoate is sourced from PubChem (CID 107341908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).