4-amino-3-(4-cyano-2,6-dimethylphenoxy)benzamide

C16H15N3O2 — CID 65455237

IUPAC4-amino-3-(4-cyano-2,6-dimethylphenoxy)benzamide
SMILESCc1cc(C#N)cc(C)c1Oc1cc(C(N)=O)ccc1N
InChIInChI=1S/C16H15N3O2/c1-9-5-11(8-17)6-10(2)15(9)21-14-7-12(16(19)20)3-4-13(14)18/h3-7H,18H2,1-2H3,(H2,19,20)
InChIKeyQVLKAXYGDMAYRD-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.65
Rot. Bonds3

About 4-amino-3-(4-cyano-2,6-dimethylphenoxy)benzamide

4-amino-3-(4-cyano-2,6-dimethylphenoxy)benzamide (PubChem CID 65455237) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 4-amino-3-(4-cyano-2,6-dimethylphenoxy)benzamide.

Molecular Properties

Compound Name4-amino-3-(4-cyano-2,6-dimethylphenoxy)benzamide
PubChem CID65455237
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name4-amino-3-(4-cyano-2,6-dimethylphenoxy)benzamide
SMILESCc1cc(C#N)cc(C)c1Oc1cc(C(N)=O)ccc1N
InChIInChI=1S/C16H15N3O2/c1-9-5-11(8-17)6-10(2)15(9)21-14-7-12(16(19)20)3-4-13(14)18/h3-7H,18H2,1-2H3,(H2,19,20)
InChIKeyQVLKAXYGDMAYRD-UHFFFAOYSA-N
XLogP2.65
TPSA102.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-amino-4-cyanophenoxy)-3,5-dimethylbenzamide
CID 65455621
4-amino-3-(4-chloro-2-methylphenoxy)benzamide
CID 55188748
5-amino-6-(4-cyano-2,6-dimethylphenoxy)pyridine-3-carboxylic acid
CID 81447521
4-[(3-amino-4-cyano-2-pyridinyl)oxy]-3,5-dimethylbenzamide
CID 82795312
4-(2-cyano-4-methylphenoxy)-3,5-dimethylbenzonitrile
CID 107928220
4-(4-amino-2-iodophenoxy)-3,5-dimethylbenzonitrile
CID 66095649
4-amino-3-trimethylsilyloxybenzamide
CID 167720584
(4-cyano-2,6-dimethylphenyl) 4-methylbenzoate
CID 129452062
4-amino-3-(3,5-difluorophenoxy)benzamide
CID 55189641
4-(3-acetylphenoxy)-3,5-dimethylbenzonitrile
CID 79167595
4-amino-3-propoxybenzamide
CID 63356295
4-(5-formyl-2-methylphenoxy)-3,5-dimethylbenzonitrile
CID 105405600

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(4-cyano-2,6-dimethylphenoxy)benzamide?
The IUPAC name of 4-amino-3-(4-cyano-2,6-dimethylphenoxy)benzamide (CID 65455237) is 4-amino-3-(4-cyano-2,6-dimethylphenoxy)benzamide.
What is the SMILES notation for 4-amino-3-(4-cyano-2,6-dimethylphenoxy)benzamide?
The canonical SMILES for 4-amino-3-(4-cyano-2,6-dimethylphenoxy)benzamide is Cc1cc(C#N)cc(C)c1Oc1cc(C(N)=O)ccc1N.
What is the InChIKey of 4-amino-3-(4-cyano-2,6-dimethylphenoxy)benzamide?
The InChIKey is QVLKAXYGDMAYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-9-5-11(8-17)6-10(2)15(9)21-14-7-12(16(19)20)3-4-13(14)18/h3-7H,18H2,1-2H3,(H2,19,20).
What are the key properties of 4-amino-3-(4-cyano-2,6-dimethylphenoxy)benzamide?
4-amino-3-(4-cyano-2,6-dimethylphenoxy)benzamide has a molecular weight of 281.32 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(4-cyano-2,6-dimethylphenoxy)benzamide is sourced from PubChem (CID 65455237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).