(2-chlorophenyl)methyl 2-amino-3-chlorobenzoate

C14H11Cl2NO2 — CID 115279797

IUPAC(2-chlorophenyl)methyl 2-amino-3-chlorobenzoate
SMILESNc1c(Cl)cccc1C(=O)OCc1ccccc1Cl
InChIInChI=1S/C14H11Cl2NO2/c15-11-6-2-1-4-9(11)8-19-14(18)10-5-3-7-12(16)13(10)17/h1-7H,8,17H2
InChIKeyLQIQALQYMQVGHO-UHFFFAOYSA-N
MW296.15 g/mol
LogP3.93
Rot. Bonds3

About (2-chlorophenyl)methyl 2-amino-3-chlorobenzoate

(2-chlorophenyl)methyl 2-amino-3-chlorobenzoate (PubChem CID 115279797) has the molecular formula C14H11Cl2NO2 and a molecular weight of 296.15 g/mol. Its IUPAC name is (2-chlorophenyl)methyl 2-amino-3-chlorobenzoate.

Molecular Properties

Compound Name(2-chlorophenyl)methyl 2-amino-3-chlorobenzoate
PubChem CID115279797
Molecular FormulaC14H11Cl2NO2
Molecular Weight296.15 g/mol
Exact Mass295.02
IUPAC Name(2-chlorophenyl)methyl 2-amino-3-chlorobenzoate
SMILESNc1c(Cl)cccc1C(=O)OCc1ccccc1Cl
InChIInChI=1S/C14H11Cl2NO2/c15-11-6-2-1-4-9(11)8-19-14(18)10-5-3-7-12(16)13(10)17/h1-7H,8,17H2
InChIKeyLQIQALQYMQVGHO-UHFFFAOYSA-N
XLogP3.93
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.15
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2,5-difluorophenyl)methyl 2-amino-3-chlorobenzoate
CID 115547754
(2-chlorophenyl)methyl 2-(methylamino)benzoate
CID 895057
(4-fluorophenyl)methyl 2-amino-3-chlorobenzoate
CID 115279798
prop-2-ynyl 2-amino-3-chlorobenzoate
CID 131036184
(2-chlorophenyl)methyl 2-anilinobenzoate
CID 5148106
(2-fluoro-4-methoxyphenyl)methyl 2-amino-3-chlorobenzoate
CID 102878422
(2-chlorophenyl)methyl 2-oxo-1H-quinoline-4-carboxylate
CID 895054
(2-chlorophenyl)methyl 2-hydroxy-4-methylbenzoate
CID 2611649
(2-anilino-2-oxoethyl) 2-amino-3-chlorobenzoate
CID 17414413
nonyl 2-amino-3-chlorobenzoate
CID 115547766
(3-amino-2-methyl-3-oxopropyl) 2-amino-3-chlorobenzoate
CID 115547825
(2-chlorophenyl)methyl 4-fluoro-2-methylbenzoate
CID 113400401

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)methyl 2-amino-3-chlorobenzoate?
The IUPAC name of (2-chlorophenyl)methyl 2-amino-3-chlorobenzoate (CID 115279797) is (2-chlorophenyl)methyl 2-amino-3-chlorobenzoate.
What is the SMILES notation for (2-chlorophenyl)methyl 2-amino-3-chlorobenzoate?
The canonical SMILES for (2-chlorophenyl)methyl 2-amino-3-chlorobenzoate is Nc1c(Cl)cccc1C(=O)OCc1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)methyl 2-amino-3-chlorobenzoate?
The InChIKey is LQIQALQYMQVGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO2/c15-11-6-2-1-4-9(11)8-19-14(18)10-5-3-7-12(16)13(10)17/h1-7H,8,17H2.
What are the key properties of (2-chlorophenyl)methyl 2-amino-3-chlorobenzoate?
(2-chlorophenyl)methyl 2-amino-3-chlorobenzoate has a molecular weight of 296.15 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)methyl 2-amino-3-chlorobenzoate is sourced from PubChem (CID 115279797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).