ethyl 4-(2-amino-5-chloroanilino)benzoate

C15H15ClN2O2 — CID 69243688

IUPACethyl 4-(2-amino-5-chloroanilino)benzoate
SMILESCCOC(=O)c1ccc(Nc2cc(Cl)ccc2N)cc1
InChIInChI=1S/C15H15ClN2O2/c1-2-20-15(19)10-3-6-12(7-4-10)18-14-9-11(16)5-8-13(14)17/h3-9,18H,2,17H2,1H3
InChIKeyZYIJYLHDOSOXCC-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.84
Rot. Bonds4

About ethyl 4-(2-amino-5-chloroanilino)benzoate

ethyl 4-(2-amino-5-chloroanilino)benzoate (PubChem CID 69243688) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is ethyl 4-(2-amino-5-chloroanilino)benzoate.

Molecular Properties

Compound Nameethyl 4-(2-amino-5-chloroanilino)benzoate
PubChem CID69243688
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Nameethyl 4-(2-amino-5-chloroanilino)benzoate
SMILESCCOC(=O)c1ccc(Nc2cc(Cl)ccc2N)cc1
InChIInChI=1S/C15H15ClN2O2/c1-2-20-15(19)10-3-6-12(7-4-10)18-14-9-11(16)5-8-13(14)17/h3-9,18H,2,17H2,1H3
InChIKeyZYIJYLHDOSOXCC-UHFFFAOYSA-N
XLogP3.84
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-amino-3-(2-bromo-4-chloroanilino)benzoate
CID 82778304
ethyl 4-[2-amino-5-(iodomethyl)anilino]benzoate
CID 89343263
ethyl 4-[[5-amino-6-(5-chloro-2-methylanilino)pyrimidin-4-yl]amino]benzoate
CID 22547238
ethyl 4-(2,5-difluoroanilino)benzoate
CID 82535791
ethyl 4-amino-3-(2,5-difluoroanilino)benzoate
CID 82776005
ethyl 2-amino-5-(2,4-dichloroanilino)benzoate
CID 63425547
ethyl 3-amino-4-(3-chloroanilino)benzoate
CID 61307975
ethyl 4-(2-amino-4-nitroanilino)benzoate
CID 54442063
ethyl 3-amino-4-(4-propan-2-ylanilino)benzoate
CID 100625271
ethyl 5-amino-2-(4-chloroanilino)benzoate
CID 61306369
4-amino-3-(5-chloro-2-methylanilino)benzoic acid
CID 82790344
ethyl 4-amino-3-(methylamino)benzoate
CID 67332734

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-amino-5-chloroanilino)benzoate?
The IUPAC name of ethyl 4-(2-amino-5-chloroanilino)benzoate (CID 69243688) is ethyl 4-(2-amino-5-chloroanilino)benzoate.
What is the SMILES notation for ethyl 4-(2-amino-5-chloroanilino)benzoate?
The canonical SMILES for ethyl 4-(2-amino-5-chloroanilino)benzoate is CCOC(=O)c1ccc(Nc2cc(Cl)ccc2N)cc1.
What is the InChIKey of ethyl 4-(2-amino-5-chloroanilino)benzoate?
The InChIKey is ZYIJYLHDOSOXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-2-20-15(19)10-3-6-12(7-4-10)18-14-9-11(16)5-8-13(14)17/h3-9,18H,2,17H2,1H3.
What are the key properties of ethyl 4-(2-amino-5-chloroanilino)benzoate?
ethyl 4-(2-amino-5-chloroanilino)benzoate has a molecular weight of 290.75 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-amino-5-chloroanilino)benzoate is sourced from PubChem (CID 69243688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).