ethyl 4-(N-aminoanilino)benzoate

C15H16N2O2 — CID 15629747

IUPACethyl 4-(N-aminoanilino)benzoate
SMILESCCOC(=O)c1ccc(N(N)c2ccccc2)cc1
InChIInChI=1S/C15H16N2O2/c1-2-19-15(18)12-8-10-14(11-9-12)17(16)13-6-4-3-5-7-13/h3-11H,2,16H2,1H3
InChIKeyFLNJSPLDZJRREL-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.88
Rot. Bonds4

About ethyl 4-(N-aminoanilino)benzoate

ethyl 4-(N-aminoanilino)benzoate (PubChem CID 15629747) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is ethyl 4-(N-aminoanilino)benzoate.

Molecular Properties

Compound Nameethyl 4-(N-aminoanilino)benzoate
PubChem CID15629747
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Nameethyl 4-(N-aminoanilino)benzoate
SMILESCCOC(=O)c1ccc(N(N)c2ccccc2)cc1
InChIInChI=1S/C15H16N2O2/c1-2-19-15(18)12-8-10-14(11-9-12)17(16)13-6-4-3-5-7-13/h3-11H,2,16H2,1H3
InChIKeyFLNJSPLDZJRREL-UHFFFAOYSA-N
XLogP2.88
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-(N-[4-[4-(N-(4-ethoxycarbonylphenyl)anilino)phenyl]phenyl]anilino)benzoate
CID 69243202
ethyl 4-[4-(N-[4-(4-ethoxycarbonylphenyl)phenyl]-4-phenylanilino)phenyl]benzoate
CID 14669998
1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate
CID 174703430
CID 158970570
CID 158970570
ethyl 4-(diethoxyamino)benzoate
CID 22239273
chloroethane;ethyl benzoate
CID 91175503
ethyl benzoate;toluene
CID 23150750
ethyl 4-(4-phenylbuta-1,3-diynyl)benzoate
CID 25052516
ethyl 4-[dimethyl(phenyl)silyl]benzoate
CID 86233969
ethyl 4-phenylsulfanylbenzoate
CID 15573904
ethyl 4-[4-(4-benzoylphenyl)phenyl]benzoate
CID 59266192
ethyl 4-[(N-phenylanilino)sulfamoyl]benzoate
CID 2405740

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(N-aminoanilino)benzoate?
The IUPAC name of ethyl 4-(N-aminoanilino)benzoate (CID 15629747) is ethyl 4-(N-aminoanilino)benzoate.
What is the SMILES notation for ethyl 4-(N-aminoanilino)benzoate?
The canonical SMILES for ethyl 4-(N-aminoanilino)benzoate is CCOC(=O)c1ccc(N(N)c2ccccc2)cc1.
What is the InChIKey of ethyl 4-(N-aminoanilino)benzoate?
The InChIKey is FLNJSPLDZJRREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-2-19-15(18)12-8-10-14(11-9-12)17(16)13-6-4-3-5-7-13/h3-11H,2,16H2,1H3.
What are the key properties of ethyl 4-(N-aminoanilino)benzoate?
ethyl 4-(N-aminoanilino)benzoate has a molecular weight of 256.31 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(N-aminoanilino)benzoate is sourced from PubChem (CID 15629747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).