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

C15H17N3O — CID 112577869

IUPAC3-amino-2-(N-ethylanilino)benzamide
SMILESCCN(c1ccccc1)c1c(N)cccc1C(N)=O
InChIInChI=1S/C15H17N3O/c1-2-18(11-7-4-3-5-8-11)14-12(15(17)19)9-6-10-13(14)16/h3-10H,2,16H2,1H3,(H2,17,19)
InChIKeyVDSMKXWFQZQBOX-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.53
Rot. Bonds4

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

3-amino-2-(N-ethylanilino)benzamide (PubChem CID 112577869) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-amino-2-(N-ethylanilino)benzamide.

Molecular Properties

Compound Name3-amino-2-(N-ethylanilino)benzamide
PubChem CID112577869
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name3-amino-2-(N-ethylanilino)benzamide
SMILESCCN(c1ccccc1)c1c(N)cccc1C(N)=O
InChIInChI=1S/C15H17N3O/c1-2-18(11-7-4-3-5-8-11)14-12(15(17)19)9-6-10-13(14)16/h3-10H,2,16H2,1H3,(H2,17,19)
InChIKeyVDSMKXWFQZQBOX-UHFFFAOYSA-N
XLogP2.53
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-(N-ethyl-4-fluoroanilino)benzoic acid
CID 115934782
methyl 3-amino-2-(N-ethyl-4-fluoroanilino)benzoate
CID 115934783
3-amino-2-[bis(2-methylpropyl)amino]benzamide
CID 112578297
3-amino-2-[2-ethoxyethyl(ethyl)amino]benzamide
CID 112578972
3-amino-2-[bis(2-hydroxyethyl)amino]benzamide
CID 112578295
3-amino-2-[methyl-(4-methylcyclohexyl)amino]benzamide
CID 112578354
3-amino-2-[(2-amino-2-oxoethyl)-propan-2-ylamino]benzamide
CID 112578538
3-amino-2-[2-methoxyethyl(3-methoxypropyl)amino]benzamide
CID 115934555
3-amino-2-(2-fluoro-N-methylanilino)benzamide
CID 112578744
3-amino-2-ethylbenzamide;dihydrochloride
CID 174785201
2-aminobenzoic acid;N,N-diethylethanamine
CID 69228024
3-amino-2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]benzamide
CID 112578601

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(N-ethylanilino)benzamide?
The IUPAC name of 3-amino-2-(N-ethylanilino)benzamide (CID 112577869) is 3-amino-2-(N-ethylanilino)benzamide.
What is the SMILES notation for 3-amino-2-(N-ethylanilino)benzamide?
The canonical SMILES for 3-amino-2-(N-ethylanilino)benzamide is CCN(c1ccccc1)c1c(N)cccc1C(N)=O.
What is the InChIKey of 3-amino-2-(N-ethylanilino)benzamide?
The InChIKey is VDSMKXWFQZQBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-2-18(11-7-4-3-5-8-11)14-12(15(17)19)9-6-10-13(14)16/h3-10H,2,16H2,1H3,(H2,17,19).
What are the key properties of 3-amino-2-(N-ethylanilino)benzamide?
3-amino-2-(N-ethylanilino)benzamide has a molecular weight of 255.32 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(N-ethylanilino)benzamide is sourced from PubChem (CID 112577869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).