ethyl 2-amino-3-chloro-6-phenylbenzoate

C15H14ClNO2 — CID 107529091

IUPACethyl 2-amino-3-chloro-6-phenylbenzoate
SMILESCCOC(=O)c1c(-c2ccccc2)ccc(Cl)c1N
InChIInChI=1S/C15H14ClNO2/c1-2-19-15(18)13-11(8-9-12(16)14(13)17)10-6-4-3-5-7-10/h3-9H,2,17H2,1H3
InChIKeyGPEQDFLGHDQXBE-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.77
Rot. Bonds3

About ethyl 2-amino-3-chloro-6-phenylbenzoate

ethyl 2-amino-3-chloro-6-phenylbenzoate (PubChem CID 107529091) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is ethyl 2-amino-3-chloro-6-phenylbenzoate.

Molecular Properties

Compound Nameethyl 2-amino-3-chloro-6-phenylbenzoate
PubChem CID107529091
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Nameethyl 2-amino-3-chloro-6-phenylbenzoate
SMILESCCOC(=O)c1c(-c2ccccc2)ccc(Cl)c1N
InChIInChI=1S/C15H14ClNO2/c1-2-19-15(18)13-11(8-9-12(16)14(13)17)10-6-4-3-5-7-10/h3-9H,2,17H2,1H3
InChIKeyGPEQDFLGHDQXBE-UHFFFAOYSA-N
XLogP3.77
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-chloro-6-phenylbenzoate?
The IUPAC name of ethyl 2-amino-3-chloro-6-phenylbenzoate (CID 107529091) is ethyl 2-amino-3-chloro-6-phenylbenzoate.
What is the SMILES notation for ethyl 2-amino-3-chloro-6-phenylbenzoate?
The canonical SMILES for ethyl 2-amino-3-chloro-6-phenylbenzoate is CCOC(=O)c1c(-c2ccccc2)ccc(Cl)c1N.
What is the InChIKey of ethyl 2-amino-3-chloro-6-phenylbenzoate?
The InChIKey is GPEQDFLGHDQXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c1-2-19-15(18)13-11(8-9-12(16)14(13)17)10-6-4-3-5-7-10/h3-9H,2,17H2,1H3.
What are the key properties of ethyl 2-amino-3-chloro-6-phenylbenzoate?
ethyl 2-amino-3-chloro-6-phenylbenzoate has a molecular weight of 275.74 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-chloro-6-phenylbenzoate is sourced from PubChem (CID 107529091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).