5-amino-2-(2-ethylanilino)benzamide

C15H17N3O — CID 61306914

IUPAC5-amino-2-(2-ethylanilino)benzamide
SMILESCCc1ccccc1Nc1ccc(N)cc1C(N)=O
InChIInChI=1S/C15H17N3O/c1-2-10-5-3-4-6-13(10)18-14-8-7-11(16)9-12(14)15(17)19/h3-9,18H,2,16H2,1H3,(H2,17,19)
InChIKeyGTDHDRFEHURCJT-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.67
Rot. Bonds4

About 5-amino-2-(2-ethylanilino)benzamide

5-amino-2-(2-ethylanilino)benzamide (PubChem CID 61306914) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 5-amino-2-(2-ethylanilino)benzamide.

Molecular Properties

Compound Name5-amino-2-(2-ethylanilino)benzamide
PubChem CID61306914
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name5-amino-2-(2-ethylanilino)benzamide
SMILESCCc1ccccc1Nc1ccc(N)cc1C(N)=O
InChIInChI=1S/C15H17N3O/c1-2-10-5-3-4-6-13(10)18-14-8-7-11(16)9-12(14)15(17)19/h3-9,18H,2,16H2,1H3,(H2,17,19)
InChIKeyGTDHDRFEHURCJT-UHFFFAOYSA-N
XLogP2.67
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-(2-ethylanilino)-N-propylbenzamide
CID 100643869
5-amino-2-(2-ethyl-6-methylanilino)benzamide
CID 61313663
2-amino-3-(2-ethylanilino)benzamide
CID 113332482
5-amino-2-(4-propylanilino)benzamide
CID 61305335
5-amino-2-(4-bromoanilino)benzamide
CID 55125298
5-amino-2-(pentan-3-ylamino)benzamide
CID 61311719
5-amino-2-(butan-2-ylamino)benzamide
CID 61311336
ethyl 5-amino-2-(2-fluoroanilino)benzoate
CID 61305653
5-amino-2-[2-(2-fluorophenyl)ethylamino]benzamide
CID 61307952
N'-(2-carbamoylphenyl)-N-(2-ethylphenyl)oxamide
CID 108529346
5-amino-2-(3,4-dimethylanilino)benzamide
CID 61307817
5-amino-2-(2-chloro-4-fluoroanilino)benzamide
CID 61312450

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2-ethylanilino)benzamide?
The IUPAC name of 5-amino-2-(2-ethylanilino)benzamide (CID 61306914) is 5-amino-2-(2-ethylanilino)benzamide.
What is the SMILES notation for 5-amino-2-(2-ethylanilino)benzamide?
The canonical SMILES for 5-amino-2-(2-ethylanilino)benzamide is CCc1ccccc1Nc1ccc(N)cc1C(N)=O.
What is the InChIKey of 5-amino-2-(2-ethylanilino)benzamide?
The InChIKey is GTDHDRFEHURCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-2-10-5-3-4-6-13(10)18-14-8-7-11(16)9-12(14)15(17)19/h3-9,18H,2,16H2,1H3,(H2,17,19).
What are the key properties of 5-amino-2-(2-ethylanilino)benzamide?
5-amino-2-(2-ethylanilino)benzamide has a molecular weight of 255.32 g/mol, XLogP of 2.67, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2-ethylanilino)benzamide is sourced from PubChem (CID 61306914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).