2-amino-3-(3,4-dimethylphenoxy)benzamide

C15H16N2O2 — CID 115546944

IUPAC2-amino-3-(3,4-dimethylphenoxy)benzamide
SMILESCc1ccc(Oc2cccc(C(N)=O)c2N)cc1C
InChIInChI=1S/C15H16N2O2/c1-9-6-7-11(8-10(9)2)19-13-5-3-4-12(14(13)16)15(17)18/h3-8H,16H2,1-2H3,(H2,17,18)
InChIKeyWPGIFBVJRRAJNI-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.78
Rot. Bonds3

About 2-amino-3-(3,4-dimethylphenoxy)benzamide

2-amino-3-(3,4-dimethylphenoxy)benzamide (PubChem CID 115546944) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-amino-3-(3,4-dimethylphenoxy)benzamide.

Molecular Properties

Compound Name2-amino-3-(3,4-dimethylphenoxy)benzamide
PubChem CID115546944
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name2-amino-3-(3,4-dimethylphenoxy)benzamide
SMILESCc1ccc(Oc2cccc(C(N)=O)c2N)cc1C
InChIInChI=1S/C15H16N2O2/c1-9-6-7-11(8-10(9)2)19-13-5-3-4-12(14(13)16)15(17)18/h3-8H,16H2,1-2H3,(H2,17,18)
InChIKeyWPGIFBVJRRAJNI-UHFFFAOYSA-N
XLogP2.78
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.78
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

2-amino-3-(3,4-difluorophenoxy)benzamide
CID 113333318
2-chloro-6-(3,4-dimethylphenoxy)aniline
CID 104834930
2-amino-3-[3-(methoxymethyl)phenoxy]benzamide
CID 115547294
2-amino-3-(3-cyanophenoxy)benzamide
CID 113333275
2-amino-3-(4-cyanophenoxy)benzamide
CID 115546962
2-amino-3-(4-cyano-3-fluorophenoxy)benzamide
CID 115547365
ethyl 2-amino-3-(4-chloro-3-methylphenoxy)benzoate
CID 115546867
2-amino-5-(2-fluoro-3-methylphenoxy)benzamide
CID 107659972
2-(3-methylphenoxy)benzamide
CID 70968841
2-amino-3-(3-bromo-5-fluorophenoxy)benzamide
CID 113333380
2-amino-3-(4-carbamoylphenoxy)benzoic acid
CID 115547056
2-amino-3-ethoxybenzamide
CID 70121071

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3,4-dimethylphenoxy)benzamide?
The IUPAC name of 2-amino-3-(3,4-dimethylphenoxy)benzamide (CID 115546944) is 2-amino-3-(3,4-dimethylphenoxy)benzamide.
What is the SMILES notation for 2-amino-3-(3,4-dimethylphenoxy)benzamide?
The canonical SMILES for 2-amino-3-(3,4-dimethylphenoxy)benzamide is Cc1ccc(Oc2cccc(C(N)=O)c2N)cc1C.
What is the InChIKey of 2-amino-3-(3,4-dimethylphenoxy)benzamide?
The InChIKey is WPGIFBVJRRAJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-9-6-7-11(8-10(9)2)19-13-5-3-4-12(14(13)16)15(17)18/h3-8H,16H2,1-2H3,(H2,17,18).
What are the key properties of 2-amino-3-(3,4-dimethylphenoxy)benzamide?
2-amino-3-(3,4-dimethylphenoxy)benzamide has a molecular weight of 256.31 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3,4-dimethylphenoxy)benzamide is sourced from PubChem (CID 115546944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).