methyl 4-amino-3-[(4-chlorophenyl)methoxy]benzoate

C15H14ClNO3 — CID 43380184

IUPACmethyl 4-amino-3-[(4-chlorophenyl)methoxy]benzoate
SMILESCOC(=O)c1ccc(N)c(OCc2ccc(Cl)cc2)c1
InChIInChI=1S/C15H14ClNO3/c1-19-15(18)11-4-7-13(17)14(8-11)20-9-10-2-5-12(16)6-3-10/h2-8H,9,17H2,1H3
InChIKeyNBPUYTYDJZYZRN-UHFFFAOYSA-N
MW291.73 g/mol
LogP3.29
Rot. Bonds4

About methyl 4-amino-3-[(4-chlorophenyl)methoxy]benzoate

methyl 4-amino-3-[(4-chlorophenyl)methoxy]benzoate (PubChem CID 43380184) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is methyl 4-amino-3-[(4-chlorophenyl)methoxy]benzoate.

Molecular Properties

Compound Namemethyl 4-amino-3-[(4-chlorophenyl)methoxy]benzoate
PubChem CID43380184
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC Namemethyl 4-amino-3-[(4-chlorophenyl)methoxy]benzoate
SMILESCOC(=O)c1ccc(N)c(OCc2ccc(Cl)cc2)c1
InChIInChI=1S/C15H14ClNO3/c1-19-15(18)11-4-7-13(17)14(8-11)20-9-10-2-5-12(16)6-3-10/h2-8H,9,17H2,1H3
InChIKeyNBPUYTYDJZYZRN-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 4-amino-3-[(3,4-dichlorophenyl)methoxy]benzoate
CID 43380152
methyl 4-amino-3-[(4-methoxyphenyl)methoxy]benzoate
CID 43380178
methyl 4-amino-3-[(4-chloro-3-fluorophenyl)methoxy]benzoate
CID 107882843
methyl 4-amino-3-[(3-methylphenyl)methoxy]benzoate
CID 43380191
methyl 4-[(4-chloro-2-methylphenoxy)methyl]benzoate
CID 28825626
methyl 4-fluoro-3-[(4-fluorophenyl)methoxy]benzoate
CID 86725638
methyl 5-amino-2-[(4-chlorophenyl)methoxy]benzoate
CID 65126151
methyl 2-amino-6-[(4-chlorophenyl)methoxy]benzoate
CID 107341908
ethyl 3-[(4-chlorophenyl)methoxy]-4-methoxybenzoate
CID 91681694
methyl 4-amino-3-methoxybenzoate
CID 602411
methyl 4-amino-3-[(2-bromo-5-methoxycarbonylphenyl)methoxy]benzoate
CID 139932775
methyl 4-amino-3-(2-methoxy-2-oxoethoxy)benzoate
CID 43380203

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-[(4-chlorophenyl)methoxy]benzoate?
The IUPAC name of methyl 4-amino-3-[(4-chlorophenyl)methoxy]benzoate (CID 43380184) is methyl 4-amino-3-[(4-chlorophenyl)methoxy]benzoate.
What is the SMILES notation for methyl 4-amino-3-[(4-chlorophenyl)methoxy]benzoate?
The canonical SMILES for methyl 4-amino-3-[(4-chlorophenyl)methoxy]benzoate is COC(=O)c1ccc(N)c(OCc2ccc(Cl)cc2)c1.
What is the InChIKey of methyl 4-amino-3-[(4-chlorophenyl)methoxy]benzoate?
The InChIKey is NBPUYTYDJZYZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3/c1-19-15(18)11-4-7-13(17)14(8-11)20-9-10-2-5-12(16)6-3-10/h2-8H,9,17H2,1H3.
What are the key properties of methyl 4-amino-3-[(4-chlorophenyl)methoxy]benzoate?
methyl 4-amino-3-[(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 4-amino-3-[(4-chlorophenyl)methoxy]benzoate is sourced from PubChem (CID 43380184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).