N-(6-bromo-2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide

C13H16BrNO2 — CID 11335493

IUPACN-(6-bromo-2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
SMILESCC(=O)NC1CC(C)(C)Oc2ccc(Br)cc21
InChIInChI=1S/C13H16BrNO2/c1-8(16)15-11-7-13(2,3)17-12-5-4-9(14)6-10(11)12/h4-6,11H,7H2,1-3H3,(H,15,16)
InChIKeyFLDHNDTWLLJDJF-UHFFFAOYSA-N
MW298.18 g/mol
LogP3.19
Rot. Bonds1

About N-(6-bromo-2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide

N-(6-bromo-2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide (PubChem CID 11335493) has the molecular formula C13H16BrNO2 and a molecular weight of 298.18 g/mol. Its IUPAC name is N-(6-bromo-2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide.

Molecular Properties

Compound NameN-(6-bromo-2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
PubChem CID11335493
Molecular FormulaC13H16BrNO2
Molecular Weight298.18 g/mol
Exact Mass297.04
IUPAC NameN-(6-bromo-2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
SMILESCC(=O)NC1CC(C)(C)Oc2ccc(Br)cc21
InChIInChI=1S/C13H16BrNO2/c1-8(16)15-11-7-13(2,3)17-12-5-4-9(14)6-10(11)12/h4-6,11H,7H2,1-3H3,(H,15,16)
InChIKeyFLDHNDTWLLJDJF-UHFFFAOYSA-N
XLogP3.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide?
The IUPAC name of N-(6-bromo-2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide (CID 11335493) is N-(6-bromo-2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide.
What is the SMILES notation for N-(6-bromo-2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide?
The canonical SMILES for N-(6-bromo-2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide is CC(=O)NC1CC(C)(C)Oc2ccc(Br)cc21.
What is the InChIKey of N-(6-bromo-2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide?
The InChIKey is FLDHNDTWLLJDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO2/c1-8(16)15-11-7-13(2,3)17-12-5-4-9(14)6-10(11)12/h4-6,11H,7H2,1-3H3,(H,15,16).
What are the key properties of N-(6-bromo-2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide?
N-(6-bromo-2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide has a molecular weight of 298.18 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide is sourced from PubChem (CID 11335493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).