2,5-dibromo-N,N-bis(3-methylbutyl)benzamide

C17H25Br2NO — CID 114371455

IUPAC2,5-dibromo-N,N-bis(3-methylbutyl)benzamide
SMILESCC(C)CCN(CCC(C)C)C(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C17H25Br2NO/c1-12(2)7-9-20(10-8-13(3)4)17(21)15-11-14(18)5-6-16(15)19/h5-6,11-13H,7-10H2,1-4H3
InChIKeyXDRZAHRNLKCIHM-UHFFFAOYSA-N
MW419.20 g/mol
LogP5.75
Rot. Bonds7

About 2,5-dibromo-N,N-bis(3-methylbutyl)benzamide

2,5-dibromo-N,N-bis(3-methylbutyl)benzamide (PubChem CID 114371455) has the molecular formula C17H25Br2NO and a molecular weight of 419.20 g/mol. Its IUPAC name is 2,5-dibromo-N,N-bis(3-methylbutyl)benzamide.

Molecular Properties

Compound Name2,5-dibromo-N,N-bis(3-methylbutyl)benzamide
PubChem CID114371455
Molecular FormulaC17H25Br2NO
Molecular Weight419.20 g/mol
Exact Mass417.03
IUPAC Name2,5-dibromo-N,N-bis(3-methylbutyl)benzamide
SMILESCC(C)CCN(CCC(C)C)C(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C17H25Br2NO/c1-12(2)7-9-20(10-8-13(3)4)17(21)15-11-14(18)5-6-16(15)19/h5-6,11-13H,7-10H2,1-4H3
InChIKeyXDRZAHRNLKCIHM-UHFFFAOYSA-N
XLogP5.75
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.20
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-2-chloro-N,N-bis(3-methylbutyl)benzamide
CID 60653063
4-bromo-N,N-bis(3-methylbutyl)-2-sulfanylbenzamide
CID 107871654
4-bromo-2-fluoro-N,N-bis(3-methylbutyl)benzamide
CID 63525644
2,5-dibromo-N-(2-bromoethyl)-N-propylbenzamide
CID 114375647
2,5-dibromo-N-(2-bromopropyl)-N-methylbenzamide
CID 114375651
2,4-dibromo-N,N-bis(2-methylpropyl)benzamide
CID 107951816
2,5-dibromo-N-(7-methyloctyl)benzamide
CID 114371952
2,5-dibromo-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 114372357
N-(2-amino-2-oxoethyl)-2,5-dibromo-N-butylbenzamide
CID 114371555
5-bromo-N,N-bis(2-hydroxyethyl)-2-methylbenzamide
CID 65311466
5-bromo-N,N-bis(3-methylbutyl)thiophene-3-carboxamide
CID 63525816
2,5-dibromo-N-butyl-N-(2,2,2-trifluoroethyl)benzamide
CID 114371542

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N,N-bis(3-methylbutyl)benzamide?
The IUPAC name of 2,5-dibromo-N,N-bis(3-methylbutyl)benzamide (CID 114371455) is 2,5-dibromo-N,N-bis(3-methylbutyl)benzamide.
What is the SMILES notation for 2,5-dibromo-N,N-bis(3-methylbutyl)benzamide?
The canonical SMILES for 2,5-dibromo-N,N-bis(3-methylbutyl)benzamide is CC(C)CCN(CCC(C)C)C(=O)c1cc(Br)ccc1Br.
What is the InChIKey of 2,5-dibromo-N,N-bis(3-methylbutyl)benzamide?
The InChIKey is XDRZAHRNLKCIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Br2NO/c1-12(2)7-9-20(10-8-13(3)4)17(21)15-11-14(18)5-6-16(15)19/h5-6,11-13H,7-10H2,1-4H3.
What are the key properties of 2,5-dibromo-N,N-bis(3-methylbutyl)benzamide?
2,5-dibromo-N,N-bis(3-methylbutyl)benzamide has a molecular weight of 419.20 g/mol, XLogP of 5.75, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N,N-bis(3-methylbutyl)benzamide is sourced from PubChem (CID 114371455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).