(2-bromo-5-methoxyphenyl)methyl 2-aminobenzoate

C15H14BrNO3 — CID 65326650

IUPAC(2-bromo-5-methoxyphenyl)methyl 2-aminobenzoate
SMILESCOc1ccc(Br)c(COC(=O)c2ccccc2N)c1
InChIInChI=1S/C15H14BrNO3/c1-19-11-6-7-13(16)10(8-11)9-20-15(18)12-4-2-3-5-14(12)17/h2-8H,9,17H2,1H3
InChIKeyYJIVBRVTJSDBJL-UHFFFAOYSA-N
MW336.19 g/mol
LogP3.40
Rot. Bonds4

About (2-bromo-5-methoxyphenyl)methyl 2-aminobenzoate

(2-bromo-5-methoxyphenyl)methyl 2-aminobenzoate (PubChem CID 65326650) has the molecular formula C15H14BrNO3 and a molecular weight of 336.19 g/mol. Its IUPAC name is (2-bromo-5-methoxyphenyl)methyl 2-aminobenzoate.

Molecular Properties

Compound Name(2-bromo-5-methoxyphenyl)methyl 2-aminobenzoate
PubChem CID65326650
Molecular FormulaC15H14BrNO3
Molecular Weight336.19 g/mol
Exact Mass335.02
IUPAC Name(2-bromo-5-methoxyphenyl)methyl 2-aminobenzoate
SMILESCOc1ccc(Br)c(COC(=O)c2ccccc2N)c1
InChIInChI=1S/C15H14BrNO3/c1-19-11-6-7-13(16)10(8-11)9-20-15(18)12-4-2-3-5-14(12)17/h2-8H,9,17H2,1H3
InChIKeyYJIVBRVTJSDBJL-UHFFFAOYSA-N
XLogP3.40
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 53.40
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

(2-methoxy-5-methylphenyl)methyl 2-aminobenzoate
CID 60730510
(2,5-dimethoxyphenyl)methyl 2-chlorobenzoate
CID 60606971
(2-bromo-4-fluorophenyl)methyl 2-aminobenzoate
CID 60730709
(3-bromophenyl)methyl 2-amino-4-methoxybenzoate
CID 115281028
(3-methoxyphenyl)methyl 2-amino-3-bromobenzoate
CID 61235590
(2-bromophenyl)methyl 4-amino-2-methoxybenzoate
CID 82832102
2-[(2-bromo-5-methoxyphenyl)methoxy]-3-methylbenzoic acid
CID 65322657
2-O-[(2-bromo-5-fluorophenyl)methyl] 1-O-butyl benzene-1,2-dicarboxylate
CID 91720603
ethyl 2-bromo-5-methoxybenzoate
CID 43389585
(3-chloro-2-fluorophenyl)methyl 2-amino-5-methoxybenzoate
CID 102858198
(2-fluoro-4-methoxyphenyl)methyl 2,4-diaminobenzoate
CID 102878337
(2,4-difluorophenyl)methyl 2-amino-5-methoxybenzoate
CID 62197226

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-methoxyphenyl)methyl 2-aminobenzoate?
The IUPAC name of (2-bromo-5-methoxyphenyl)methyl 2-aminobenzoate (CID 65326650) is (2-bromo-5-methoxyphenyl)methyl 2-aminobenzoate.
What is the SMILES notation for (2-bromo-5-methoxyphenyl)methyl 2-aminobenzoate?
The canonical SMILES for (2-bromo-5-methoxyphenyl)methyl 2-aminobenzoate is COc1ccc(Br)c(COC(=O)c2ccccc2N)c1.
What is the InChIKey of (2-bromo-5-methoxyphenyl)methyl 2-aminobenzoate?
The InChIKey is YJIVBRVTJSDBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO3/c1-19-11-6-7-13(16)10(8-11)9-20-15(18)12-4-2-3-5-14(12)17/h2-8H,9,17H2,1H3.
What are the key properties of (2-bromo-5-methoxyphenyl)methyl 2-aminobenzoate?
(2-bromo-5-methoxyphenyl)methyl 2-aminobenzoate has a molecular weight of 336.19 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-methoxyphenyl)methyl 2-aminobenzoate is sourced from PubChem (CID 65326650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).