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

C15H15ClN2O2 — CID 61306369

IUPACethyl 5-amino-2-(4-chloroanilino)benzoate
SMILESCCOC(=O)c1cc(N)ccc1Nc1ccc(Cl)cc1
InChIInChI=1S/C15H15ClN2O2/c1-2-20-15(19)13-9-11(17)5-8-14(13)18-12-6-3-10(16)4-7-12/h3-9,18H,2,17H2,1H3
InChIKeyCDBCCNYUDGDXNF-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.84
Rot. Bonds4

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

ethyl 5-amino-2-(4-chloroanilino)benzoate (PubChem CID 61306369) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is ethyl 5-amino-2-(4-chloroanilino)benzoate.

Molecular Properties

Compound Nameethyl 5-amino-2-(4-chloroanilino)benzoate
PubChem CID61306369
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Nameethyl 5-amino-2-(4-chloroanilino)benzoate
SMILESCCOC(=O)c1cc(N)ccc1Nc1ccc(Cl)cc1
InChIInChI=1S/C15H15ClN2O2/c1-2-20-15(19)13-9-11(17)5-8-14(13)18-12-6-3-10(16)4-7-12/h3-9,18H,2,17H2,1H3
InChIKeyCDBCCNYUDGDXNF-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 5-amino-2-(4-ethylanilino)benzoate
CID 63425348
ethyl 5-amino-2-(4-chloro-2-iodoanilino)benzoate
CID 107637817
ethyl 2-(4-chloroanilino)benzoate
CID 82535773
ethyl 5-amino-2-(3-bromo-4-methylanilino)benzoate
CID 63423036
ethyl 5-amino-2-(2-fluoroanilino)benzoate
CID 61305653
ethyl 5-amino-2-(3-methylanilino)benzoate
CID 61307109
ethyl 5-amino-2-(3-chloro-2-fluoroanilino)benzoate
CID 63425405
ethyl 5-amino-2-(3-ethylanilino)benzoate
CID 63425793
5-amino-2-(4-chloroanilino)-N-propylbenzamide
CID 100645514
ethyl 5-amino-2-(2-bromo-3-chloroanilino)benzoate
CID 103481240
ethyl 2-amino-5-(2,4-dichloroanilino)benzoate
CID 63425547
propyl 5-amino-2-(3-chloro-4-methylanilino)benzoate
CID 100646777

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-(4-chloroanilino)benzoate?
The IUPAC name of ethyl 5-amino-2-(4-chloroanilino)benzoate (CID 61306369) is ethyl 5-amino-2-(4-chloroanilino)benzoate.
What is the SMILES notation for ethyl 5-amino-2-(4-chloroanilino)benzoate?
The canonical SMILES for ethyl 5-amino-2-(4-chloroanilino)benzoate is CCOC(=O)c1cc(N)ccc1Nc1ccc(Cl)cc1.
What is the InChIKey of ethyl 5-amino-2-(4-chloroanilino)benzoate?
The InChIKey is CDBCCNYUDGDXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-2-20-15(19)13-9-11(17)5-8-14(13)18-12-6-3-10(16)4-7-12/h3-9,18H,2,17H2,1H3.
What are the key properties of ethyl 5-amino-2-(4-chloroanilino)benzoate?
ethyl 5-amino-2-(4-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 5-amino-2-(4-chloroanilino)benzoate is sourced from PubChem (CID 61306369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).