N-(5-chloropentan-2-yl)-2,6-difluorobenzamide

C12H14ClF2NO — CID 114305791

IUPACN-(5-chloropentan-2-yl)-2,6-difluorobenzamide
SMILESCC(CCCCl)NC(=O)c1c(F)cccc1F
InChIInChI=1S/C12H14ClF2NO/c1-8(4-3-7-13)16-12(17)11-9(14)5-2-6-10(11)15/h2,5-6,8H,3-4,7H2,1H3,(H,16,17)
InChIKeyDZKJEHPFAHNSBG-UHFFFAOYSA-N
MW261.70 g/mol
LogP3.10
Rot. Bonds5

About N-(5-chloropentan-2-yl)-2,6-difluorobenzamide

N-(5-chloropentan-2-yl)-2,6-difluorobenzamide (PubChem CID 114305791) has the molecular formula C12H14ClF2NO and a molecular weight of 261.70 g/mol. Its IUPAC name is N-(5-chloropentan-2-yl)-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-(5-chloropentan-2-yl)-2,6-difluorobenzamide
PubChem CID114305791
Molecular FormulaC12H14ClF2NO
Molecular Weight261.70 g/mol
Exact Mass261.07
IUPAC NameN-(5-chloropentan-2-yl)-2,6-difluorobenzamide
SMILESCC(CCCCl)NC(=O)c1c(F)cccc1F
InChIInChI=1S/C12H14ClF2NO/c1-8(4-3-7-13)16-12(17)11-9(14)5-2-6-10(11)15/h2,5-6,8H,3-4,7H2,1H3,(H,16,17)
InChIKeyDZKJEHPFAHNSBG-UHFFFAOYSA-N
XLogP3.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.70
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,6-difluoro-N-(6-methylheptan-2-yl)benzamide
CID 78789460
5-[(2,6-difluorobenzoyl)amino]hexanoic acid
CID 82854153
2-chloro-6-fluoro-N-heptan-2-ylbenzamide
CID 78789535
2,6-difluoro-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 2566393
3-bromo-N-(5-chloropentan-2-yl)-2-fluorobenzamide
CID 107956694
N-(1-chloro-3-methylbutan-2-yl)-2,6-difluorobenzamide
CID 114305446
N-(4-amino-4-sulfanylidenebutan-2-yl)-2,6-difluorobenzamide
CID 62094599
4-methylpentyl 2-[(2,6-difluorobenzoyl)amino]propanoate
CID 6423118
N-(1-chloropropan-2-yl)-2,3-difluorobenzamide
CID 114299570
3-chloro-N-(5-chloropentan-2-yl)benzamide
CID 114305976
3-bromo-N-(5-chloropentan-2-yl)-4-fluorobenzamide
CID 107956695
2,3-difluoro-N-hexan-2-ylbenzamide
CID 55099872

Frequently Asked Questions

What is the IUPAC name of N-(5-chloropentan-2-yl)-2,6-difluorobenzamide?
The IUPAC name of N-(5-chloropentan-2-yl)-2,6-difluorobenzamide (CID 114305791) is N-(5-chloropentan-2-yl)-2,6-difluorobenzamide.
What is the SMILES notation for N-(5-chloropentan-2-yl)-2,6-difluorobenzamide?
The canonical SMILES for N-(5-chloropentan-2-yl)-2,6-difluorobenzamide is CC(CCCCl)NC(=O)c1c(F)cccc1F.
What is the InChIKey of N-(5-chloropentan-2-yl)-2,6-difluorobenzamide?
The InChIKey is DZKJEHPFAHNSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF2NO/c1-8(4-3-7-13)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-(5-chloropentan-2-yl)-2,6-difluorobenzamide?
N-(5-chloropentan-2-yl)-2,6-difluorobenzamide has a molecular weight of 261.70 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropentan-2-yl)-2,6-difluorobenzamide is sourced from PubChem (CID 114305791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).