2-amino-3-(4-ethylanilino)benzamide

C15H17N3O — CID 113332480

IUPAC2-amino-3-(4-ethylanilino)benzamide
SMILESCCc1ccc(Nc2cccc(C(N)=O)c2N)cc1
InChIInChI=1S/C15H17N3O/c1-2-10-6-8-11(9-7-10)18-13-5-3-4-12(14(13)16)15(17)19/h3-9,18H,2,16H2,1H3,(H2,17,19)
InChIKeyZIGGEBPSWZUNPZ-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.67
Rot. Bonds4

About 2-amino-3-(4-ethylanilino)benzamide

2-amino-3-(4-ethylanilino)benzamide (PubChem CID 113332480) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-amino-3-(4-ethylanilino)benzamide.

Molecular Properties

Compound Name2-amino-3-(4-ethylanilino)benzamide
PubChem CID113332480
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name2-amino-3-(4-ethylanilino)benzamide
SMILESCCc1ccc(Nc2cccc(C(N)=O)c2N)cc1
InChIInChI=1S/C15H17N3O/c1-2-10-6-8-11(9-7-10)18-13-5-3-4-12(14(13)16)15(17)19/h3-9,18H,2,16H2,1H3,(H2,17,19)
InChIKeyZIGGEBPSWZUNPZ-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

methyl 2-amino-3-(4-ethylanilino)benzoate
CID 115544514
2-(4-ethylanilino)benzamide
CID 177472959
2-amino-3-(2-ethylanilino)benzamide
CID 113332482
2-amino-3-(4-chloroanilino)benzamide
CID 113332450
2-amino-3-[4-(dimethylamino)anilino]benzamide
CID 115544938
methyl 2-amino-3-(4-propylanilino)benzoate
CID 115544787
2-amino-3-(2-methylanilino)benzamide
CID 113332516
2-amino-3-(3,4-dimethoxyanilino)benzamide
CID 115544343
methyl 2-amino-3-[4-(cyanomethyl)anilino]benzoate
CID 115545835
methyl 2-amino-3-[(4-ethylphenyl)methylamino]benzoate
CID 106900672
2-amino-3-(2-iodoanilino)benzamide
CID 113332546
2-amino-3-(3-chloroanilino)benzamide
CID 113332446

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-ethylanilino)benzamide?
The IUPAC name of 2-amino-3-(4-ethylanilino)benzamide (CID 113332480) is 2-amino-3-(4-ethylanilino)benzamide.
What is the SMILES notation for 2-amino-3-(4-ethylanilino)benzamide?
The canonical SMILES for 2-amino-3-(4-ethylanilino)benzamide is CCc1ccc(Nc2cccc(C(N)=O)c2N)cc1.
What is the InChIKey of 2-amino-3-(4-ethylanilino)benzamide?
The InChIKey is ZIGGEBPSWZUNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-2-10-6-8-11(9-7-10)18-13-5-3-4-12(14(13)16)15(17)19/h3-9,18H,2,16H2,1H3,(H2,17,19).
What are the key properties of 2-amino-3-(4-ethylanilino)benzamide?
2-amino-3-(4-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 2-amino-3-(4-ethylanilino)benzamide is sourced from PubChem (CID 113332480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).