2,4-dibromo-N-(3-methoxy-2-methylpropyl)benzamide

C12H15Br2NO2 — CID 103882658

IUPAC2,4-dibromo-N-(3-methoxy-2-methylpropyl)benzamide
SMILESCOCC(C)CNC(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C12H15Br2NO2/c1-8(7-17-2)6-15-12(16)10-4-3-9(13)5-11(10)14/h3-5,8H,6-7H2,1-2H3,(H,15,16)
InChIKeyBQGYBWKMMJNLHJ-UHFFFAOYSA-N
MW365.07 g/mol
LogP3.22
Rot. Bonds5

About 2,4-dibromo-N-(3-methoxy-2-methylpropyl)benzamide

2,4-dibromo-N-(3-methoxy-2-methylpropyl)benzamide (PubChem CID 103882658) has the molecular formula C12H15Br2NO2 and a molecular weight of 365.07 g/mol. Its IUPAC name is 2,4-dibromo-N-(3-methoxy-2-methylpropyl)benzamide.

Molecular Properties

Compound Name2,4-dibromo-N-(3-methoxy-2-methylpropyl)benzamide
PubChem CID103882658
Molecular FormulaC12H15Br2NO2
Molecular Weight365.07 g/mol
Exact Mass362.95
IUPAC Name2,4-dibromo-N-(3-methoxy-2-methylpropyl)benzamide
SMILESCOCC(C)CNC(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C12H15Br2NO2/c1-8(7-17-2)6-15-12(16)10-4-3-9(13)5-11(10)14/h3-5,8H,6-7H2,1-2H3,(H,15,16)
InChIKeyBQGYBWKMMJNLHJ-UHFFFAOYSA-N
XLogP3.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.07
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dibromo-N-(2-methoxyethyl)benzamide
CID 103882043
4-bromo-N-(3-methoxy-2-methylpropyl)benzamide
CID 48685252
3-amino-5-bromo-N-(3-methoxy-2-methylpropyl)-2-methylbenzamide
CID 107872634
5-bromo-N-(3-methoxy-2-methylpropyl)-2-(methylamino)pyridine-3-carboxamide
CID 55047194
2,4-dibromo-N-(3-methyl-2-oxobutyl)benzamide
CID 104860776
3-[(2,4-dibromobenzoyl)amino]-2-hydroxypropanoic acid
CID 107938123
2,4-dibromo-N-[2-(dimethylamino)-3-ethylpentyl]benzamide
CID 107952235
N-(3-amino-2-hydroxy-3-oxopropyl)-2,4-dibromobenzamide
CID 106164860
2,4-dibromo-N-[2-(2,2-difluoroethoxy)ethyl]benzamide
CID 103082574
2,4-dibromo-N-(2-chloropentyl)benzamide
CID 107941412
2,4-dibromo-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 103882713
4-[(4-bromo-2-methoxybenzoyl)amino]-3-methylbutanoic acid
CID 113295975

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(3-methoxy-2-methylpropyl)benzamide?
The IUPAC name of 2,4-dibromo-N-(3-methoxy-2-methylpropyl)benzamide (CID 103882658) is 2,4-dibromo-N-(3-methoxy-2-methylpropyl)benzamide.
What is the SMILES notation for 2,4-dibromo-N-(3-methoxy-2-methylpropyl)benzamide?
The canonical SMILES for 2,4-dibromo-N-(3-methoxy-2-methylpropyl)benzamide is COCC(C)CNC(=O)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-(3-methoxy-2-methylpropyl)benzamide?
The InChIKey is BQGYBWKMMJNLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2NO2/c1-8(7-17-2)6-15-12(16)10-4-3-9(13)5-11(10)14/h3-5,8H,6-7H2,1-2H3,(H,15,16).
What are the key properties of 2,4-dibromo-N-(3-methoxy-2-methylpropyl)benzamide?
2,4-dibromo-N-(3-methoxy-2-methylpropyl)benzamide has a molecular weight of 365.07 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(3-methoxy-2-methylpropyl)benzamide is sourced from PubChem (CID 103882658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).