2,4-dibromo-N-butan-2-yl-N-methylbenzamide

C12H15Br2NO — CID 103883121

IUPAC2,4-dibromo-N-butan-2-yl-N-methylbenzamide
SMILESCCC(C)N(C)C(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C12H15Br2NO/c1-4-8(2)15(3)12(16)10-6-5-9(13)7-11(10)14/h5-8H,4H2,1-3H3
InChIKeyWIOPQBRNPSJGOT-UHFFFAOYSA-N
MW349.07 g/mol
LogP4.08
Rot. Bonds3

About 2,4-dibromo-N-butan-2-yl-N-methylbenzamide

2,4-dibromo-N-butan-2-yl-N-methylbenzamide (PubChem CID 103883121) has the molecular formula C12H15Br2NO and a molecular weight of 349.07 g/mol. Its IUPAC name is 2,4-dibromo-N-butan-2-yl-N-methylbenzamide.

Molecular Properties

Compound Name2,4-dibromo-N-butan-2-yl-N-methylbenzamide
PubChem CID103883121
Molecular FormulaC12H15Br2NO
Molecular Weight349.07 g/mol
Exact Mass346.95
IUPAC Name2,4-dibromo-N-butan-2-yl-N-methylbenzamide
SMILESCCC(C)N(C)C(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C12H15Br2NO/c1-4-8(2)15(3)12(16)10-6-5-9(13)7-11(10)14/h5-8H,4H2,1-3H3
InChIKeyWIOPQBRNPSJGOT-UHFFFAOYSA-N
XLogP4.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.07
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-dibromo-N-methyl-N-(4-methylpentan-2-yl)benzamide
CID 114019946
N-(4-amino-4-sulfanylidenebutan-2-yl)-2,4-dibromo-N-methylbenzamide
CID 114018352
2,4-dibromo-N-butan-2-yl-N-ethylbenzamide
CID 107951577
N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-2,4-dibromo-N-methylbenzamide
CID 107940566
2,4-dibromo-N-methyl-N-(2-methylbutyl)benzamide
CID 103882827
2-[butan-2-yl-(2,4-dibromobenzoyl)amino]acetic acid
CID 107937793
2,4-dibromo-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 107939270
2,4-dibromo-N,N-bis(2-methylpropyl)benzamide
CID 107951816
4-bromo-N-(1-bromopropan-2-yl)-N,2-dimethylbenzamide
CID 104556235
2,4-dibromo-N-propan-2-yl-N-propylbenzamide
CID 107951573
2,4-dibromo-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 103885573
4-bromo-N-(1-chloropropan-2-yl)-2-hydroxy-N-methylbenzamide
CID 104555603

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-butan-2-yl-N-methylbenzamide?
The IUPAC name of 2,4-dibromo-N-butan-2-yl-N-methylbenzamide (CID 103883121) is 2,4-dibromo-N-butan-2-yl-N-methylbenzamide.
What is the SMILES notation for 2,4-dibromo-N-butan-2-yl-N-methylbenzamide?
The canonical SMILES for 2,4-dibromo-N-butan-2-yl-N-methylbenzamide is CCC(C)N(C)C(=O)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-butan-2-yl-N-methylbenzamide?
The InChIKey is WIOPQBRNPSJGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2NO/c1-4-8(2)15(3)12(16)10-6-5-9(13)7-11(10)14/h5-8H,4H2,1-3H3.
What are the key properties of 2,4-dibromo-N-butan-2-yl-N-methylbenzamide?
2,4-dibromo-N-butan-2-yl-N-methylbenzamide has a molecular weight of 349.07 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-butan-2-yl-N-methylbenzamide is sourced from PubChem (CID 103883121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).