ethyl 2-amino-5-(2-cyanophenoxy)benzoate

C16H14N2O3 — CID 61305610

IUPACethyl 2-amino-5-(2-cyanophenoxy)benzoate
SMILESCCOC(=O)c1cc(Oc2ccccc2C#N)ccc1N
InChIInChI=1S/C16H14N2O3/c1-2-20-16(19)13-9-12(7-8-14(13)18)21-15-6-4-3-5-11(15)10-17/h3-9H,2,18H2,1H3
InChIKeyKECOOUCOQQJDFR-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.11
Rot. Bonds4

About ethyl 2-amino-5-(2-cyanophenoxy)benzoate

ethyl 2-amino-5-(2-cyanophenoxy)benzoate (PubChem CID 61305610) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is ethyl 2-amino-5-(2-cyanophenoxy)benzoate.

Molecular Properties

Compound Nameethyl 2-amino-5-(2-cyanophenoxy)benzoate
PubChem CID61305610
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Nameethyl 2-amino-5-(2-cyanophenoxy)benzoate
SMILESCCOC(=O)c1cc(Oc2ccccc2C#N)ccc1N
InChIInChI=1S/C16H14N2O3/c1-2-20-16(19)13-9-12(7-8-14(13)18)21-15-6-4-3-5-11(15)10-17/h3-9H,2,18H2,1H3
InChIKeyKECOOUCOQQJDFR-UHFFFAOYSA-N
XLogP3.11
TPSA85.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-amino-5-(2,5-difluorophenoxy)benzoate
CID 63269663
ethyl 2-amino-5-(4-methylphenoxy)benzoate
CID 63423730
ethyl 2-amino-5-(4-bromophenoxy)benzoate
CID 63423182
2-(4-amino-3-methoxyphenoxy)benzonitrile
CID 63677591
ethyl 2-amino-5-(2-chloro-4-fluorophenoxy)benzoate
CID 63423263
(2-cyanophenyl)methyl 2-amino-5-methylbenzoate
CID 60768737
ethyl 4,5-diamino-2-cyanobenzoate
CID 134651440
methyl 2-amino-5-(2-methoxyphenoxy)benzoate
CID 61306841
2-(3-ethoxyphenoxy)benzonitrile
CID 62336711
4-(2-cyanophenoxy)benzamide
CID 28825078
ethyl 2-(4-bromophenoxy)benzoate
CID 23464800
ethyl 2-[[3-(2-cyanophenoxy)benzoyl]amino]-1,3-thiazole-5-carboxylate
CID 59735921

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-5-(2-cyanophenoxy)benzoate?
The IUPAC name of ethyl 2-amino-5-(2-cyanophenoxy)benzoate (CID 61305610) is ethyl 2-amino-5-(2-cyanophenoxy)benzoate.
What is the SMILES notation for ethyl 2-amino-5-(2-cyanophenoxy)benzoate?
The canonical SMILES for ethyl 2-amino-5-(2-cyanophenoxy)benzoate is CCOC(=O)c1cc(Oc2ccccc2C#N)ccc1N.
What is the InChIKey of ethyl 2-amino-5-(2-cyanophenoxy)benzoate?
The InChIKey is KECOOUCOQQJDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-2-20-16(19)13-9-12(7-8-14(13)18)21-15-6-4-3-5-11(15)10-17/h3-9H,2,18H2,1H3.
What are the key properties of ethyl 2-amino-5-(2-cyanophenoxy)benzoate?
ethyl 2-amino-5-(2-cyanophenoxy)benzoate has a molecular weight of 282.30 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-5-(2-cyanophenoxy)benzoate is sourced from PubChem (CID 61305610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).