N-(5-bromopentyl)-2-chloro-6-fluorobenzamide

C12H14BrClFNO — CID 107321928

IUPACN-(5-bromopentyl)-2-chloro-6-fluorobenzamide
SMILESO=C(NCCCCCBr)c1c(F)cccc1Cl
InChIInChI=1S/C12H14BrClFNO/c13-7-2-1-3-8-16-12(17)11-9(14)5-4-6-10(11)15/h4-6H,1-3,7-8H2,(H,16,17)
InChIKeySFYNSHYHQCMEAO-UHFFFAOYSA-N
MW322.61 g/mol
LogP3.77
Rot. Bonds6

About N-(5-bromopentyl)-2-chloro-6-fluorobenzamide

N-(5-bromopentyl)-2-chloro-6-fluorobenzamide (PubChem CID 107321928) has the molecular formula C12H14BrClFNO and a molecular weight of 322.61 g/mol. Its IUPAC name is N-(5-bromopentyl)-2-chloro-6-fluorobenzamide.

Molecular Properties

Compound NameN-(5-bromopentyl)-2-chloro-6-fluorobenzamide
PubChem CID107321928
Molecular FormulaC12H14BrClFNO
Molecular Weight322.61 g/mol
Exact Mass320.99
IUPAC NameN-(5-bromopentyl)-2-chloro-6-fluorobenzamide
SMILESO=C(NCCCCCBr)c1c(F)cccc1Cl
InChIInChI=1S/C12H14BrClFNO/c13-7-2-1-3-8-16-12(17)11-9(14)5-4-6-10(11)15/h4-6H,1-3,7-8H2,(H,16,17)
InChIKeySFYNSHYHQCMEAO-UHFFFAOYSA-N
XLogP3.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.61
LogP ≤ 53.77
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

N-(6-bromohexyl)-2-fluoro-6-hydroxybenzamide
CID 114008519
N-(3-bromopropyl)-2,6-dichlorobenzamide
CID 43133585
8-[(2-chloro-6-fluorobenzoyl)amino]octanoic acid
CID 10663193
N-(5-bromopentyl)-2,3-dichlorobenzamide
CID 107321695
N-(6-bromohexyl)-2-chloro-6-nitrobenzamide
CID 107847753
N-(3-bromopropyl)-2-fluoro-6-hydroxybenzamide
CID 107016848
2-chloro-6-fluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119503921
2-chloro-6-fluoro-N-(2-methoxyethyl)benzamide
CID 17217215
2-chloro-6-fluoro-N-(5-imidazol-1-ylpentyl)benzamide
CID 110445786
N-(6-bromohexyl)-2,4,6-trifluorobenzamide
CID 107847891
2-chloro-N-[2-[(2,2-dichloroacetyl)amino]ethyl]-6-fluorobenzamide
CID 108575168
N-(5-bromopentyl)-2-fluoro-3-methylbenzamide
CID 107322114

Frequently Asked Questions

What is the IUPAC name of N-(5-bromopentyl)-2-chloro-6-fluorobenzamide?
The IUPAC name of N-(5-bromopentyl)-2-chloro-6-fluorobenzamide (CID 107321928) is N-(5-bromopentyl)-2-chloro-6-fluorobenzamide.
What is the SMILES notation for N-(5-bromopentyl)-2-chloro-6-fluorobenzamide?
The canonical SMILES for N-(5-bromopentyl)-2-chloro-6-fluorobenzamide is O=C(NCCCCCBr)c1c(F)cccc1Cl.
What is the InChIKey of N-(5-bromopentyl)-2-chloro-6-fluorobenzamide?
The InChIKey is SFYNSHYHQCMEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClFNO/c13-7-2-1-3-8-16-12(17)11-9(14)5-4-6-10(11)15/h4-6H,1-3,7-8H2,(H,16,17).
What are the key properties of N-(5-bromopentyl)-2-chloro-6-fluorobenzamide?
N-(5-bromopentyl)-2-chloro-6-fluorobenzamide has a molecular weight of 322.61 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopentyl)-2-chloro-6-fluorobenzamide is sourced from PubChem (CID 107321928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).