2-bromo-N-(5-bromopentyl)-5-fluorobenzamide

C12H14Br2FNO — CID 107322000

IUPAC2-bromo-N-(5-bromopentyl)-5-fluorobenzamide
SMILESO=C(NCCCCCBr)c1cc(F)ccc1Br
InChIInChI=1S/C12H14Br2FNO/c13-6-2-1-3-7-16-12(17)10-8-9(15)4-5-11(10)14/h4-5,8H,1-3,6-7H2,(H,16,17)
InChIKeyFBEXDOBTIVKQKA-UHFFFAOYSA-N
MW367.06 g/mol
LogP3.88
Rot. Bonds6

About 2-bromo-N-(5-bromopentyl)-5-fluorobenzamide

2-bromo-N-(5-bromopentyl)-5-fluorobenzamide (PubChem CID 107322000) has the molecular formula C12H14Br2FNO and a molecular weight of 367.06 g/mol. Its IUPAC name is 2-bromo-N-(5-bromopentyl)-5-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-(5-bromopentyl)-5-fluorobenzamide
PubChem CID107322000
Molecular FormulaC12H14Br2FNO
Molecular Weight367.06 g/mol
Exact Mass364.94
IUPAC Name2-bromo-N-(5-bromopentyl)-5-fluorobenzamide
SMILESO=C(NCCCCCBr)c1cc(F)ccc1Br
InChIInChI=1S/C12H14Br2FNO/c13-6-2-1-3-7-16-12(17)10-8-9(15)4-5-11(10)14/h4-5,8H,1-3,6-7H2,(H,16,17)
InChIKeyFBEXDOBTIVKQKA-UHFFFAOYSA-N
XLogP3.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.06
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

2-bromo-N-(4-bromobutyl)-4-fluorobenzamide
CID 106845591
N-(4-bromobutyl)-5-fluoro-2-methylbenzamide
CID 106845986
2-bromo-N-(6-bromohexyl)-5-chlorobenzamide
CID 114026635
2-bromo-N-[3-(diethylamino)propyl]-5-fluorobenzamide
CID 24694683
2-bromo-5-fluoro-N-(2-methoxyethyl)benzamide
CID 24703783
2-bromo-5-fluoro-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 9210550
2-bromo-N-(6-bromohexyl)-5-methoxybenzamide
CID 107847455
4-bromo-N-(6-bromohexyl)-2-fluorobenzamide
CID 114008594
2-bromo-N-(3-ethoxypropyl)-5-fluorobenzamide
CID 24703752
2-bromo-N-(5-bromo-2,2-dimethylpentyl)-5-fluorobenzamide
CID 114149717
2-bromo-N-[3-(2-chloroethoxy)propyl]-5-fluorobenzamide
CID 106306823
2-bromo-5-fluoro-N-[2-(methanesulfonamido)ethyl]benzamide
CID 36907101

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(5-bromopentyl)-5-fluorobenzamide?
The IUPAC name of 2-bromo-N-(5-bromopentyl)-5-fluorobenzamide (CID 107322000) is 2-bromo-N-(5-bromopentyl)-5-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-(5-bromopentyl)-5-fluorobenzamide?
The canonical SMILES for 2-bromo-N-(5-bromopentyl)-5-fluorobenzamide is O=C(NCCCCCBr)c1cc(F)ccc1Br.
What is the InChIKey of 2-bromo-N-(5-bromopentyl)-5-fluorobenzamide?
The InChIKey is FBEXDOBTIVKQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Br2FNO/c13-6-2-1-3-7-16-12(17)10-8-9(15)4-5-11(10)14/h4-5,8H,1-3,6-7H2,(H,16,17).
What are the key properties of 2-bromo-N-(5-bromopentyl)-5-fluorobenzamide?
2-bromo-N-(5-bromopentyl)-5-fluorobenzamide has a molecular weight of 367.06 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(5-bromopentyl)-5-fluorobenzamide is sourced from PubChem (CID 107322000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).