2,4-dibromo-N-methyl-N-(4-methylpentan-2-yl)benzamide

C14H19Br2NO — CID 114019946

IUPAC2,4-dibromo-N-methyl-N-(4-methylpentan-2-yl)benzamide
SMILESCC(C)CC(C)N(C)C(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C14H19Br2NO/c1-9(2)7-10(3)17(4)14(18)12-6-5-11(15)8-13(12)16/h5-6,8-10H,7H2,1-4H3
InChIKeyOVNKKHZTRRWNLJ-UHFFFAOYSA-N
MW377.12 g/mol
LogP4.72
Rot. Bonds4

About 2,4-dibromo-N-methyl-N-(4-methylpentan-2-yl)benzamide

2,4-dibromo-N-methyl-N-(4-methylpentan-2-yl)benzamide (PubChem CID 114019946) has the molecular formula C14H19Br2NO and a molecular weight of 377.12 g/mol. Its IUPAC name is 2,4-dibromo-N-methyl-N-(4-methylpentan-2-yl)benzamide.

Molecular Properties

Compound Name2,4-dibromo-N-methyl-N-(4-methylpentan-2-yl)benzamide
PubChem CID114019946
Molecular FormulaC14H19Br2NO
Molecular Weight377.12 g/mol
Exact Mass374.98
IUPAC Name2,4-dibromo-N-methyl-N-(4-methylpentan-2-yl)benzamide
SMILESCC(C)CC(C)N(C)C(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C14H19Br2NO/c1-9(2)7-10(3)17(4)14(18)12-6-5-11(15)8-13(12)16/h5-6,8-10H,7H2,1-4H3
InChIKeyOVNKKHZTRRWNLJ-UHFFFAOYSA-N
XLogP4.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.12
LogP ≤ 54.72
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
N-(4-amino-4-sulfanylidenebutan-2-yl)-2,4-dibromo-N-methylbenzamide
CID 114018352
N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-2,4-dibromo-N-methylbenzamide
CID 107940566
2,4-dibromo-N,N-bis(2-methylpropyl)benzamide
CID 107951816
2-bromo-5-methoxy-N-methyl-N-(4-methylpentan-2-yl)benzamide
CID 60745117
2,4-dibromo-N-methyl-N-(2-methylbutyl)benzamide
CID 103882827
5-amino-2-bromo-4-fluoro-N-methyl-N-(4-methylpentan-2-yl)benzamide
CID 62815256
2,4-dibromo-N-butan-2-yl-N-ethylbenzamide
CID 107951577
2,4-dibromo-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 107939270
2,4-dibromo-N-propan-2-yl-N-propylbenzamide
CID 107951573
4-bromo-N-(1-bromopropan-2-yl)-N,2-dimethylbenzamide
CID 104556235
2,4-dibromo-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 103885573

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-methyl-N-(4-methylpentan-2-yl)benzamide?
The IUPAC name of 2,4-dibromo-N-methyl-N-(4-methylpentan-2-yl)benzamide (CID 114019946) is 2,4-dibromo-N-methyl-N-(4-methylpentan-2-yl)benzamide.
What is the SMILES notation for 2,4-dibromo-N-methyl-N-(4-methylpentan-2-yl)benzamide?
The canonical SMILES for 2,4-dibromo-N-methyl-N-(4-methylpentan-2-yl)benzamide is CC(C)CC(C)N(C)C(=O)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-methyl-N-(4-methylpentan-2-yl)benzamide?
The InChIKey is OVNKKHZTRRWNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Br2NO/c1-9(2)7-10(3)17(4)14(18)12-6-5-11(15)8-13(12)16/h5-6,8-10H,7H2,1-4H3.
What are the key properties of 2,4-dibromo-N-methyl-N-(4-methylpentan-2-yl)benzamide?
2,4-dibromo-N-methyl-N-(4-methylpentan-2-yl)benzamide has a molecular weight of 377.12 g/mol, XLogP of 4.72, 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-(4-methylpentan-2-yl)benzamide is sourced from PubChem (CID 114019946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).