3,5-dibromo-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-hydroxybenzamide

C14H20Br2N2O2 — CID 2484940

IUPAC3,5-dibromo-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-hydroxybenzamide
SMILESCN(C)CC(C)(C)CNC(=O)c1cc(Br)cc(Br)c1O
InChIInChI=1S/C14H20Br2N2O2/c1-14(2,8-18(3)4)7-17-13(20)10-5-9(15)6-11(16)12(10)19/h5-6,19H,7-8H2,1-4H3,(H,17,20)
InChIKeyVLXOAKIQLNWNOJ-UHFFFAOYSA-N
MW408.13 g/mol
LogP3.23
Rot. Bonds5

About 3,5-dibromo-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-hydroxybenzamide

3,5-dibromo-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-hydroxybenzamide (PubChem CID 2484940) has the molecular formula C14H20Br2N2O2 and a molecular weight of 408.13 g/mol. Its IUPAC name is 3,5-dibromo-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-hydroxybenzamide.

Molecular Properties

Compound Name3,5-dibromo-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-hydroxybenzamide
PubChem CID2484940
Molecular FormulaC14H20Br2N2O2
Molecular Weight408.13 g/mol
Exact Mass405.99
IUPAC Name3,5-dibromo-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-hydroxybenzamide
SMILESCN(C)CC(C)(C)CNC(=O)c1cc(Br)cc(Br)c1O
InChIInChI=1S/C14H20Br2N2O2/c1-14(2,8-18(3)4)7-17-13(20)10-5-9(15)6-11(16)12(10)19/h5-6,19H,7-8H2,1-4H3,(H,17,20)
InChIKeyVLXOAKIQLNWNOJ-UHFFFAOYSA-N
XLogP3.23
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.13
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 547207
CID 547207
CID 352428
CID 352428
CID 38708
CID 38708
CID 38709
CID 38709
CID 27449
CID 27449
CID 27450
CID 27450
CID 13544826
CID 13544826
CID 10916003
CID 10916003
CID 38710
CID 38710
CID 42813
CID 42813
CID 42814
CID 42814
CID 38711
CID 38711

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-hydroxybenzamide?
The IUPAC name of 3,5-dibromo-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-hydroxybenzamide (CID 2484940) is 3,5-dibromo-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-hydroxybenzamide.
What is the SMILES notation for 3,5-dibromo-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-hydroxybenzamide?
The canonical SMILES for 3,5-dibromo-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-hydroxybenzamide is CN(C)CC(C)(C)CNC(=O)c1cc(Br)cc(Br)c1O.
What is the InChIKey of 3,5-dibromo-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-hydroxybenzamide?
The InChIKey is VLXOAKIQLNWNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Br2N2O2/c1-14(2,8-18(3)4)7-17-13(20)10-5-9(15)6-11(16)12(10)19/h5-6,19H,7-8H2,1-4H3,(H,17,20).
What are the key properties of 3,5-dibromo-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-hydroxybenzamide?
3,5-dibromo-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-hydroxybenzamide has a molecular weight of 408.13 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-hydroxybenzamide is sourced from PubChem (CID 2484940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).