N-(4-bromopentyl)-2,6-difluorobenzamide

C12H14BrF2NO — CID 106130576

IUPACN-(4-bromopentyl)-2,6-difluorobenzamide
SMILESCC(Br)CCCNC(=O)c1c(F)cccc1F
InChIInChI=1S/C12H14BrF2NO/c1-8(13)4-3-7-16-12(17)11-9(14)5-2-6-10(11)15/h2,5-6,8H,3-4,7H2,1H3,(H,16,17)
InChIKeyUGAHGIORHKRLMA-UHFFFAOYSA-N
MW306.15 g/mol
LogP3.26
Rot. Bonds5

About N-(4-bromopentyl)-2,6-difluorobenzamide

N-(4-bromopentyl)-2,6-difluorobenzamide (PubChem CID 106130576) has the molecular formula C12H14BrF2NO and a molecular weight of 306.15 g/mol. Its IUPAC name is N-(4-bromopentyl)-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-(4-bromopentyl)-2,6-difluorobenzamide
PubChem CID106130576
Molecular FormulaC12H14BrF2NO
Molecular Weight306.15 g/mol
Exact Mass305.02
IUPAC NameN-(4-bromopentyl)-2,6-difluorobenzamide
SMILESCC(Br)CCCNC(=O)c1c(F)cccc1F
InChIInChI=1S/C12H14BrF2NO/c1-8(13)4-3-7-16-12(17)11-9(14)5-2-6-10(11)15/h2,5-6,8H,3-4,7H2,1H3,(H,16,17)
InChIKeyUGAHGIORHKRLMA-UHFFFAOYSA-N
XLogP3.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 53.26
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-bromopentyl)benzamide
CID 106131142
3-bromo-N-(4-bromopentyl)-2-methylbenzamide
CID 106130435
2,6-difluoro-N-(3-hydroxypropyl)benzamide
CID 5203738
N-(3-bromo-4-methoxybutyl)-2,6-difluorobenzamide
CID 106244803
2,6-difluoro-N-(3-hydroxypentyl)benzamide
CID 115703804
N-(4-bromopentyl)-2-(difluoromethoxy)benzamide
CID 106130417
N-(4-bromopentyl)-1-benzofuran-3-carboxamide
CID 106131215
5-[(2-fluoro-6-methoxybenzoyl)amino]-2-methylpentanoic acid
CID 104681666
2-fluoro-N-(4-methylpentyl)benzamide
CID 60738338
N-(4-bromopentyl)-4-chloro-2-methylbenzamide
CID 106131582
N-(2-aminopropyl)-2,6-difluorobenzamide
CID 63732942
2-bromo-N-butyl-6-fluorobenzamide
CID 115678075

Frequently Asked Questions

What is the IUPAC name of N-(4-bromopentyl)-2,6-difluorobenzamide?
The IUPAC name of N-(4-bromopentyl)-2,6-difluorobenzamide (CID 106130576) is N-(4-bromopentyl)-2,6-difluorobenzamide.
What is the SMILES notation for N-(4-bromopentyl)-2,6-difluorobenzamide?
The canonical SMILES for N-(4-bromopentyl)-2,6-difluorobenzamide is CC(Br)CCCNC(=O)c1c(F)cccc1F.
What is the InChIKey of N-(4-bromopentyl)-2,6-difluorobenzamide?
The InChIKey is UGAHGIORHKRLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrF2NO/c1-8(13)4-3-7-16-12(17)11-9(14)5-2-6-10(11)15/h2,5-6,8H,3-4,7H2,1H3,(H,16,17).
What are the key properties of N-(4-bromopentyl)-2,6-difluorobenzamide?
N-(4-bromopentyl)-2,6-difluorobenzamide has a molecular weight of 306.15 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromopentyl)-2,6-difluorobenzamide is sourced from PubChem (CID 106130576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).