3-bromo-N-(3-bromopropyl)-4-methoxybenzamide

C11H13Br2NO2 — CID 61033584

IUPAC3-bromo-N-(3-bromopropyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCCBr)cc1Br
InChIInChI=1S/C11H13Br2NO2/c1-16-10-4-3-8(7-9(10)13)11(15)14-6-2-5-12/h3-4,7H,2,5-6H2,1H3,(H,14,15)
InChIKeyZDGXOONGIMABIT-UHFFFAOYSA-N
MW351.04 g/mol
LogP2.97
Rot. Bonds5

About 3-bromo-N-(3-bromopropyl)-4-methoxybenzamide

3-bromo-N-(3-bromopropyl)-4-methoxybenzamide (PubChem CID 61033584) has the molecular formula C11H13Br2NO2 and a molecular weight of 351.04 g/mol. Its IUPAC name is 3-bromo-N-(3-bromopropyl)-4-methoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-(3-bromopropyl)-4-methoxybenzamide
PubChem CID61033584
Molecular FormulaC11H13Br2NO2
Molecular Weight351.04 g/mol
Exact Mass348.93
IUPAC Name3-bromo-N-(3-bromopropyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCCBr)cc1Br
InChIInChI=1S/C11H13Br2NO2/c1-16-10-4-3-8(7-9(10)13)11(15)14-6-2-5-12/h3-4,7H,2,5-6H2,1H3,(H,14,15)
InChIKeyZDGXOONGIMABIT-UHFFFAOYSA-N
XLogP2.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.04
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-[2-[(3-bromo-4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide
CID 5120217
3-bromo-4-methoxy-N-pentylbenzamide
CID 60660286
3-bromo-N-ethyl-4-methoxybenzamide
CID 51200283
N-(3-bromopropyl)-4-fluoro-3-methoxybenzamide
CID 81284858
N-(4-bromobutyl)-3-fluoro-4-methoxybenzamide
CID 106845988
3-bromo-4-methoxy-N'-methylbenzohydrazide
CID 116846856
3-bromo-N-[3-(4-ethylpiperazin-1-yl)propyl]-4-methoxybenzamide
CID 47029235
3-bromo-N-[2-(cyclopropylamino)ethyl]-4-methoxybenzamide
CID 62662939
3-bromo-4-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide
CID 17218741
3-bromo-4-methoxy-N-(3-methoxypropylcarbamothioyl)benzamide
CID 17140182
N-(3-bromopropyl)-3-methoxy-4-nitrobenzamide
CID 104783553
3-bromo-4-methoxy-N-(3-pyridin-3-ylpropyl)benzamide
CID 110607078

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-bromopropyl)-4-methoxybenzamide?
The IUPAC name of 3-bromo-N-(3-bromopropyl)-4-methoxybenzamide (CID 61033584) is 3-bromo-N-(3-bromopropyl)-4-methoxybenzamide.
What is the SMILES notation for 3-bromo-N-(3-bromopropyl)-4-methoxybenzamide?
The canonical SMILES for 3-bromo-N-(3-bromopropyl)-4-methoxybenzamide is COc1ccc(C(=O)NCCCBr)cc1Br.
What is the InChIKey of 3-bromo-N-(3-bromopropyl)-4-methoxybenzamide?
The InChIKey is ZDGXOONGIMABIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br2NO2/c1-16-10-4-3-8(7-9(10)13)11(15)14-6-2-5-12/h3-4,7H,2,5-6H2,1H3,(H,14,15).
What are the key properties of 3-bromo-N-(3-bromopropyl)-4-methoxybenzamide?
3-bromo-N-(3-bromopropyl)-4-methoxybenzamide has a molecular weight of 351.04 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-bromopropyl)-4-methoxybenzamide is sourced from PubChem (CID 61033584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).