N-[2-(chloromethyl)cyclopentyl]-2,5-difluorobenzamide

C13H14ClF2NO — CID 106365784

IUPACN-[2-(chloromethyl)cyclopentyl]-2,5-difluorobenzamide
SMILESO=C(NC1CCCC1CCl)c1cc(F)ccc1F
InChIInChI=1S/C13H14ClF2NO/c14-7-8-2-1-3-12(8)17-13(18)10-6-9(15)4-5-11(10)16/h4-6,8,12H,1-3,7H2,(H,17,18)
InChIKeyNJHTZBUQESTHGO-UHFFFAOYSA-N
MW273.71 g/mol
LogP3.10
Rot. Bonds3

About N-[2-(chloromethyl)cyclopentyl]-2,5-difluorobenzamide

N-[2-(chloromethyl)cyclopentyl]-2,5-difluorobenzamide (PubChem CID 106365784) has the molecular formula C13H14ClF2NO and a molecular weight of 273.71 g/mol. Its IUPAC name is N-[2-(chloromethyl)cyclopentyl]-2,5-difluorobenzamide.

Molecular Properties

Compound NameN-[2-(chloromethyl)cyclopentyl]-2,5-difluorobenzamide
PubChem CID106365784
Molecular FormulaC13H14ClF2NO
Molecular Weight273.71 g/mol
Exact Mass273.07
IUPAC NameN-[2-(chloromethyl)cyclopentyl]-2,5-difluorobenzamide
SMILESO=C(NC1CCCC1CCl)c1cc(F)ccc1F
InChIInChI=1S/C13H14ClF2NO/c14-7-8-2-1-3-12(8)17-13(18)10-6-9(15)4-5-11(10)16/h4-6,8,12H,1-3,7H2,(H,17,18)
InChIKeyNJHTZBUQESTHGO-UHFFFAOYSA-N
XLogP3.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.71
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

5-chloro-N-[2-(chloromethyl)cyclopentyl]-2-fluorobenzamide
CID 106366136
2-bromo-N-[2-(chloromethyl)cyclohexyl]-5-fluorobenzamide
CID 106366697
N-[2-(chloromethyl)cyclohexyl]-4-fluoro-2-hydroxybenzamide
CID 106366865
2,5-difluoro-N-(2-hydroxycyclopentyl)benzamide
CID 43835745
2-[(2,5-difluorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 64813271
N-[2-(chloromethyl)cyclohexyl]-4-fluorobenzamide
CID 114179591
N-[2-(chloromethyl)cyclohexyl]-2,4,6-trifluorobenzamide
CID 106366629
N-[2-(chloromethyl)cyclopentyl]-2,5-difluoro-3-nitrobenzamide
CID 106366051
4-chloro-N-[2-(chloromethyl)cyclohexyl]-2-methylbenzamide
CID 114179592
N-[2-(chloromethyl)cyclohexyl]-3,5-difluorobenzamide
CID 114179554
N-[2-(chloromethyl)cyclopentyl]-2-(3-fluorophenyl)acetamide
CID 106366080
3,5-dichloro-N-[2-(chloromethyl)cyclopentyl]benzamide
CID 106366031

Frequently Asked Questions

What is the IUPAC name of N-[2-(chloromethyl)cyclopentyl]-2,5-difluorobenzamide?
The IUPAC name of N-[2-(chloromethyl)cyclopentyl]-2,5-difluorobenzamide (CID 106365784) is N-[2-(chloromethyl)cyclopentyl]-2,5-difluorobenzamide.
What is the SMILES notation for N-[2-(chloromethyl)cyclopentyl]-2,5-difluorobenzamide?
The canonical SMILES for N-[2-(chloromethyl)cyclopentyl]-2,5-difluorobenzamide is O=C(NC1CCCC1CCl)c1cc(F)ccc1F.
What is the InChIKey of N-[2-(chloromethyl)cyclopentyl]-2,5-difluorobenzamide?
The InChIKey is NJHTZBUQESTHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF2NO/c14-7-8-2-1-3-12(8)17-13(18)10-6-9(15)4-5-11(10)16/h4-6,8,12H,1-3,7H2,(H,17,18).
What are the key properties of N-[2-(chloromethyl)cyclopentyl]-2,5-difluorobenzamide?
N-[2-(chloromethyl)cyclopentyl]-2,5-difluorobenzamide has a molecular weight of 273.71 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(chloromethyl)cyclopentyl]-2,5-difluorobenzamide is sourced from PubChem (CID 106365784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).