2,4-dibromo-N-methyl-N-(2-methylbutyl)benzamide

C13H17Br2NO — CID 103882827

IUPAC2,4-dibromo-N-methyl-N-(2-methylbutyl)benzamide
SMILESCCC(C)CN(C)C(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C13H17Br2NO/c1-4-9(2)8-16(3)13(17)11-6-5-10(14)7-12(11)15/h5-7,9H,4,8H2,1-3H3
InChIKeyQQXXUWVKXBXVAV-UHFFFAOYSA-N
MW363.09 g/mol
LogP4.33
Rot. Bonds4

About 2,4-dibromo-N-methyl-N-(2-methylbutyl)benzamide

2,4-dibromo-N-methyl-N-(2-methylbutyl)benzamide (PubChem CID 103882827) has the molecular formula C13H17Br2NO and a molecular weight of 363.09 g/mol. Its IUPAC name is 2,4-dibromo-N-methyl-N-(2-methylbutyl)benzamide.

Molecular Properties

Compound Name2,4-dibromo-N-methyl-N-(2-methylbutyl)benzamide
PubChem CID103882827
Molecular FormulaC13H17Br2NO
Molecular Weight363.09 g/mol
Exact Mass360.97
IUPAC Name2,4-dibromo-N-methyl-N-(2-methylbutyl)benzamide
SMILESCCC(C)CN(C)C(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C13H17Br2NO/c1-4-9(2)8-16(3)13(17)11-6-5-10(14)7-12(11)15/h5-7,9H,4,8H2,1-3H3
InChIKeyQQXXUWVKXBXVAV-UHFFFAOYSA-N
XLogP4.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.09
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-dibromo-N-butan-2-yl-N-methylbenzamide
CID 103883121
2,4-dibromo-N,N-bis(2-methylpropyl)benzamide
CID 107951816
2-bromo-5-fluoro-N-methyl-N-(2-methylbutyl)benzamide
CID 43296128
2,4-dibromo-N-(2-bromo-3-methoxypropyl)-N-methylbenzamide
CID 114018651
2,4-dibromo-N-butan-2-yl-N-ethylbenzamide
CID 107951577
2,4-dibromo-N-methyl-N-(4-methylpentan-2-yl)benzamide
CID 114019946
4-bromo-3-[methyl(2-methylbutyl)carbamoyl]benzenesulfonyl chloride
CID 65372268
2,5-dibromo-N-(2-bromopropyl)-N-methylbenzamide
CID 114375651
2-[butan-2-yl-(2,4-dibromobenzoyl)amino]acetic acid
CID 107937793
2,4-dibromo-N-propan-2-yl-N-propylbenzamide
CID 107951573
N-(2-amino-2-sulfanylideneethyl)-2,4-dibromo-N-methylbenzamide
CID 107938956
2,4-dibromo-N-(cyclopropylmethyl)-N-methylbenzamide
CID 103882559

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-methyl-N-(2-methylbutyl)benzamide?
The IUPAC name of 2,4-dibromo-N-methyl-N-(2-methylbutyl)benzamide (CID 103882827) is 2,4-dibromo-N-methyl-N-(2-methylbutyl)benzamide.
What is the SMILES notation for 2,4-dibromo-N-methyl-N-(2-methylbutyl)benzamide?
The canonical SMILES for 2,4-dibromo-N-methyl-N-(2-methylbutyl)benzamide is CCC(C)CN(C)C(=O)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-methyl-N-(2-methylbutyl)benzamide?
The InChIKey is QQXXUWVKXBXVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Br2NO/c1-4-9(2)8-16(3)13(17)11-6-5-10(14)7-12(11)15/h5-7,9H,4,8H2,1-3H3.
What are the key properties of 2,4-dibromo-N-methyl-N-(2-methylbutyl)benzamide?
2,4-dibromo-N-methyl-N-(2-methylbutyl)benzamide has a molecular weight of 363.09 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-methyl-N-(2-methylbutyl)benzamide is sourced from PubChem (CID 103882827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).