3-amino-5-bromo-N-(2,2-diethyloxan-4-yl)benzamide

C16H23BrN2O2 — CID 83034725

IUPAC3-amino-5-bromo-N-(2,2-diethyloxan-4-yl)benzamide
SMILESCCC1(CC)CC(NC(=O)c2cc(N)cc(Br)c2)CCO1
InChIInChI=1S/C16H23BrN2O2/c1-3-16(4-2)10-14(5-6-21-16)19-15(20)11-7-12(17)9-13(18)8-11/h7-9,14H,3-6,10,18H2,1-2H3,(H,19,20)
InChIKeyJGCXWVHCXAEWFS-UHFFFAOYSA-N
MW355.28 g/mol
LogP3.50
Rot. Bonds4

About 3-amino-5-bromo-N-(2,2-diethyloxan-4-yl)benzamide

3-amino-5-bromo-N-(2,2-diethyloxan-4-yl)benzamide (PubChem CID 83034725) has the molecular formula C16H23BrN2O2 and a molecular weight of 355.28 g/mol. Its IUPAC name is 3-amino-5-bromo-N-(2,2-diethyloxan-4-yl)benzamide.

Molecular Properties

Compound Name3-amino-5-bromo-N-(2,2-diethyloxan-4-yl)benzamide
PubChem CID83034725
Molecular FormulaC16H23BrN2O2
Molecular Weight355.28 g/mol
Exact Mass354.09
IUPAC Name3-amino-5-bromo-N-(2,2-diethyloxan-4-yl)benzamide
SMILESCCC1(CC)CC(NC(=O)c2cc(N)cc(Br)c2)CCO1
InChIInChI=1S/C16H23BrN2O2/c1-3-16(4-2)10-14(5-6-21-16)19-15(20)11-7-12(17)9-13(18)8-11/h7-9,14H,3-6,10,18H2,1-2H3,(H,19,20)
InChIKeyJGCXWVHCXAEWFS-UHFFFAOYSA-N
XLogP3.50
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-N-(2,2-diethyloxan-4-yl)benzamide?
The IUPAC name of 3-amino-5-bromo-N-(2,2-diethyloxan-4-yl)benzamide (CID 83034725) is 3-amino-5-bromo-N-(2,2-diethyloxan-4-yl)benzamide.
What is the SMILES notation for 3-amino-5-bromo-N-(2,2-diethyloxan-4-yl)benzamide?
The canonical SMILES for 3-amino-5-bromo-N-(2,2-diethyloxan-4-yl)benzamide is CCC1(CC)CC(NC(=O)c2cc(N)cc(Br)c2)CCO1.
What is the InChIKey of 3-amino-5-bromo-N-(2,2-diethyloxan-4-yl)benzamide?
The InChIKey is JGCXWVHCXAEWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O2/c1-3-16(4-2)10-14(5-6-21-16)19-15(20)11-7-12(17)9-13(18)8-11/h7-9,14H,3-6,10,18H2,1-2H3,(H,19,20).
What are the key properties of 3-amino-5-bromo-N-(2,2-diethyloxan-4-yl)benzamide?
3-amino-5-bromo-N-(2,2-diethyloxan-4-yl)benzamide has a molecular weight of 355.28 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-N-(2,2-diethyloxan-4-yl)benzamide is sourced from PubChem (CID 83034725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).