3,5-dibromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]benzamide

C15H22Br2N2O — CID 107980196

IUPAC3,5-dibromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]benzamide
SMILESCC(C)CC(CN(C)C)NC(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C15H22Br2N2O/c1-10(2)5-14(9-19(3)4)18-15(20)11-6-12(16)8-13(17)7-11/h6-8,10,14H,5,9H2,1-4H3,(H,18,20)
InChIKeyCZUZXAHVKVZQMC-UHFFFAOYSA-N
MW406.16 g/mol
LogP3.92
Rot. Bonds6

About 3,5-dibromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]benzamide

3,5-dibromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]benzamide (PubChem CID 107980196) has the molecular formula C15H22Br2N2O and a molecular weight of 406.16 g/mol. Its IUPAC name is 3,5-dibromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]benzamide.

Molecular Properties

Compound Name3,5-dibromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]benzamide
PubChem CID107980196
Molecular FormulaC15H22Br2N2O
Molecular Weight406.16 g/mol
Exact Mass404.01
IUPAC Name3,5-dibromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]benzamide
SMILESCC(C)CC(CN(C)C)NC(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C15H22Br2N2O/c1-10(2)5-14(9-19(3)4)18-15(20)11-6-12(16)8-13(17)7-11/h6-8,10,14H,5,9H2,1-4H3,(H,18,20)
InChIKeyCZUZXAHVKVZQMC-UHFFFAOYSA-N
XLogP3.92
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.16
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dibromo-N-(1-bromo-4-methylpentan-2-yl)benzamide
CID 107975115
3-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-methylbenzamide
CID 81472392
N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-(ethylamino)benzamide
CID 62181781
2-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]benzamide
CID 54877519
methyl 3-[[1-(dimethylamino)-4-methylpentan-2-yl]carbamoyl]-5-nitrobenzoate
CID 86846720
N-[1-(dimethylamino)-4-methylpentan-2-yl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998097
[1-(dimethylamino)-4-methylpentan-2-yl]urea
CID 61059405
N-[1-(dimethylamino)-4-methylpentan-2-yl]-2,5-dimethylthiophene-3-carboxamide
CID 86994687
3-(2-aminoethyl)-N-[1-(dimethylamino)-4-methylpentan-2-yl]benzamide
CID 62592624
6-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-2-carboxamide
CID 103875259
N-[1-(dimethylamino)-4-methylpentan-2-yl]-6-fluoropyridine-3-carboxamide
CID 63978149
2-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-3-carboxamide
CID 103752619

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]benzamide?
The IUPAC name of 3,5-dibromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]benzamide (CID 107980196) is 3,5-dibromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]benzamide.
What is the SMILES notation for 3,5-dibromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]benzamide?
The canonical SMILES for 3,5-dibromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]benzamide is CC(C)CC(CN(C)C)NC(=O)c1cc(Br)cc(Br)c1.
What is the InChIKey of 3,5-dibromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]benzamide?
The InChIKey is CZUZXAHVKVZQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Br2N2O/c1-10(2)5-14(9-19(3)4)18-15(20)11-6-12(16)8-13(17)7-11/h6-8,10,14H,5,9H2,1-4H3,(H,18,20).
What are the key properties of 3,5-dibromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]benzamide?
3,5-dibromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]benzamide has a molecular weight of 406.16 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]benzamide is sourced from PubChem (CID 107980196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).