3-amino-2-(3-ethoxyanilino)benzamide

C15H17N3O2 — CID 115934510

IUPAC3-amino-2-(3-ethoxyanilino)benzamide
SMILESCCOc1cccc(Nc2c(N)cccc2C(N)=O)c1
InChIInChI=1S/C15H17N3O2/c1-2-20-11-6-3-5-10(9-11)18-14-12(15(17)19)7-4-8-13(14)16/h3-9,18H,2,16H2,1H3,(H2,17,19)
InChIKeyGGUSPFYERJRBJT-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.51
Rot. Bonds5

About 3-amino-2-(3-ethoxyanilino)benzamide

3-amino-2-(3-ethoxyanilino)benzamide (PubChem CID 115934510) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-amino-2-(3-ethoxyanilino)benzamide.

Molecular Properties

Compound Name3-amino-2-(3-ethoxyanilino)benzamide
PubChem CID115934510
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name3-amino-2-(3-ethoxyanilino)benzamide
SMILESCCOc1cccc(Nc2c(N)cccc2C(N)=O)c1
InChIInChI=1S/C15H17N3O2/c1-2-20-11-6-3-5-10(9-11)18-14-12(15(17)19)7-4-8-13(14)16/h3-9,18H,2,16H2,1H3,(H2,17,19)
InChIKeyGGUSPFYERJRBJT-UHFFFAOYSA-N
XLogP2.51
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-2-N-(3-ethoxyphenyl)benzene-1,2-diamine
CID 140989971
3-amino-2-(3,5-dimethoxyanilino)benzamide
CID 115933905
3-amino-2-(3-fluoroanilino)benzamide
CID 112577784
3-amino-2-(3-iodo-4-methylanilino)benzamide
CID 114257938
2-amino-N-(3-ethoxyphenyl)-3-methylbenzamide
CID 61103168
2-amino-N-(3-ethoxyphenyl)-6-methoxybenzamide
CID 81394304
3-amino-4-(3-ethoxyanilino)-N-methylbenzamide
CID 82991688
3-amino-2-(4-methylsulfanylanilino)benzamide
CID 112577711
3-amino-2-(3-chloro-4-fluoroanilino)benzamide
CID 112577949
2-amino-5-(3-methoxyanilino)benzamide
CID 61307103
3-amino-2-[[2-(diethylamino)-2-oxoethyl]amino]benzamide
CID 113406427
2-N-(3-ethoxyphenyl)-4-fluorobenzene-1,2-diamine
CID 62377477

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3-ethoxyanilino)benzamide?
The IUPAC name of 3-amino-2-(3-ethoxyanilino)benzamide (CID 115934510) is 3-amino-2-(3-ethoxyanilino)benzamide.
What is the SMILES notation for 3-amino-2-(3-ethoxyanilino)benzamide?
The canonical SMILES for 3-amino-2-(3-ethoxyanilino)benzamide is CCOc1cccc(Nc2c(N)cccc2C(N)=O)c1.
What is the InChIKey of 3-amino-2-(3-ethoxyanilino)benzamide?
The InChIKey is GGUSPFYERJRBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-2-20-11-6-3-5-10(9-11)18-14-12(15(17)19)7-4-8-13(14)16/h3-9,18H,2,16H2,1H3,(H2,17,19).
What are the key properties of 3-amino-2-(3-ethoxyanilino)benzamide?
3-amino-2-(3-ethoxyanilino)benzamide has a molecular weight of 271.32 g/mol, XLogP of 2.51, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3-ethoxyanilino)benzamide is sourced from PubChem (CID 115934510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).