2-bromo-N-(3-bromopropyl)-3-fluoro-N-methylbenzamide

C11H12Br2FNO — CID 106441224

IUPAC2-bromo-N-(3-bromopropyl)-3-fluoro-N-methylbenzamide
SMILESCN(CCCBr)C(=O)c1cccc(F)c1Br
InChIInChI=1S/C11H12Br2FNO/c1-15(7-3-6-12)11(16)8-4-2-5-9(14)10(8)13/h2,4-5H,3,6-7H2,1H3
InChIKeyUROAQQKVAXFZAL-UHFFFAOYSA-N
MW353.03 g/mol
LogP3.45
Rot. Bonds4

About 2-bromo-N-(3-bromopropyl)-3-fluoro-N-methylbenzamide

2-bromo-N-(3-bromopropyl)-3-fluoro-N-methylbenzamide (PubChem CID 106441224) has the molecular formula C11H12Br2FNO and a molecular weight of 353.03 g/mol. Its IUPAC name is 2-bromo-N-(3-bromopropyl)-3-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(3-bromopropyl)-3-fluoro-N-methylbenzamide
PubChem CID106441224
Molecular FormulaC11H12Br2FNO
Molecular Weight353.03 g/mol
Exact Mass350.93
IUPAC Name2-bromo-N-(3-bromopropyl)-3-fluoro-N-methylbenzamide
SMILESCN(CCCBr)C(=O)c1cccc(F)c1Br
InChIInChI=1S/C11H12Br2FNO/c1-15(7-3-6-12)11(16)8-4-2-5-9(14)10(8)13/h2,4-5H,3,6-7H2,1H3
InChIKeyUROAQQKVAXFZAL-UHFFFAOYSA-N
XLogP3.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.03
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(5-bromopentyl)-3-chloro-2-fluoro-N-methylbenzamide
CID 107206107
N-[3-(dimethylamino)propyl]-2,3-difluoro-N-methylbenzamide
CID 63694509
2-bromo-N-(3-bromopropyl)-N-methylfuran-3-carboxamide
CID 106441118
N-(3-bromopropyl)-2-methoxy-N-methylbenzamide
CID 106441301
2-bromo-N-[(2-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 103852799
N-(3-bromopropyl)-2-chloro-4-fluoro-N-methylbenzamide
CID 106441252
N-(3-bromopropyl)-N,3-dimethyl-2-nitrobenzamide
CID 106441083
2,3-difluoro-N-methyl-N-propylbenzamide
CID 62649186
3-bromo-2-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107300840
2-(ethylamino)-3-fluoro-N-methyl-N-pentylbenzamide
CID 62649252
2-bromo-3-fluoro-N-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 106627953
N-(5-bromopentyl)-2,3-dimethoxy-N-methylbenzamide
CID 107206269

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-bromopropyl)-3-fluoro-N-methylbenzamide?
The IUPAC name of 2-bromo-N-(3-bromopropyl)-3-fluoro-N-methylbenzamide (CID 106441224) is 2-bromo-N-(3-bromopropyl)-3-fluoro-N-methylbenzamide.
What is the SMILES notation for 2-bromo-N-(3-bromopropyl)-3-fluoro-N-methylbenzamide?
The canonical SMILES for 2-bromo-N-(3-bromopropyl)-3-fluoro-N-methylbenzamide is CN(CCCBr)C(=O)c1cccc(F)c1Br.
What is the InChIKey of 2-bromo-N-(3-bromopropyl)-3-fluoro-N-methylbenzamide?
The InChIKey is UROAQQKVAXFZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2FNO/c1-15(7-3-6-12)11(16)8-4-2-5-9(14)10(8)13/h2,4-5H,3,6-7H2,1H3.
What are the key properties of 2-bromo-N-(3-bromopropyl)-3-fluoro-N-methylbenzamide?
2-bromo-N-(3-bromopropyl)-3-fluoro-N-methylbenzamide has a molecular weight of 353.03 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-bromopropyl)-3-fluoro-N-methylbenzamide is sourced from PubChem (CID 106441224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).