N-[(3-chlorocyclopentyl)methyl]-2,5-difluorobenzamide

C13H14ClF2NO — CID 106126996

IUPACN-[(3-chlorocyclopentyl)methyl]-2,5-difluorobenzamide
SMILESO=C(NCC1CCC(Cl)C1)c1cc(F)ccc1F
InChIInChI=1S/C13H14ClF2NO/c14-9-2-1-8(5-9)7-17-13(18)11-6-10(15)3-4-12(11)16/h3-4,6,8-9H,1-2,5,7H2,(H,17,18)
InChIKeyWRMUNXCRVQHCFM-UHFFFAOYSA-N
MW273.71 g/mol
LogP3.10
Rot. Bonds3

About N-[(3-chlorocyclopentyl)methyl]-2,5-difluorobenzamide

N-[(3-chlorocyclopentyl)methyl]-2,5-difluorobenzamide (PubChem CID 106126996) has the molecular formula C13H14ClF2NO and a molecular weight of 273.71 g/mol. Its IUPAC name is N-[(3-chlorocyclopentyl)methyl]-2,5-difluorobenzamide.

Molecular Properties

Compound NameN-[(3-chlorocyclopentyl)methyl]-2,5-difluorobenzamide
PubChem CID106126996
Molecular FormulaC13H14ClF2NO
Molecular Weight273.71 g/mol
Exact Mass273.07
IUPAC NameN-[(3-chlorocyclopentyl)methyl]-2,5-difluorobenzamide
SMILESO=C(NCC1CCC(Cl)C1)c1cc(F)ccc1F
InChIInChI=1S/C13H14ClF2NO/c14-9-2-1-8(5-9)7-17-13(18)11-6-10(15)3-4-12(11)16/h3-4,6,8-9H,1-2,5,7H2,(H,17,18)
InChIKeyWRMUNXCRVQHCFM-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

4-chloro-N-[(3-chlorocyclopentyl)methyl]-2,5-difluorobenzamide
CID 114146975
N-[(3-chlorocyclopentyl)methyl]-4-fluoro-2-nitrobenzamide
CID 106127301
N-[(3-chlorocyclopentyl)methyl]-4-fluorobenzamide
CID 106127378
2-bromo-N-[(3-chlorocyclohexyl)methyl]-4-fluorobenzamide
CID 106131826
5-chloro-2-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 114146514
2-chloro-N-[(3-chlorocyclopentyl)methyl]-6-fluorobenzamide
CID 114147100
2-chloro-N-[(3-chlorocyclopentyl)methyl]benzamide
CID 106126358
5-chloro-N-[(3-chlorocyclopentyl)methyl]-2-methoxybenzamide
CID 114146911
5-bromo-N-[(3-bromocyclopentyl)methyl]-2-fluorobenzamide
CID 106128408
5-chloro-N-(cyclohexylmethyl)-2-fluorobenzamide
CID 60674706
5-chloro-2-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide
CID 66004553
5-bromo-2-chloro-N-[(3-chlorocyclopentyl)methyl]benzamide
CID 106126328

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorocyclopentyl)methyl]-2,5-difluorobenzamide?
The IUPAC name of N-[(3-chlorocyclopentyl)methyl]-2,5-difluorobenzamide (CID 106126996) is N-[(3-chlorocyclopentyl)methyl]-2,5-difluorobenzamide.
What is the SMILES notation for N-[(3-chlorocyclopentyl)methyl]-2,5-difluorobenzamide?
The canonical SMILES for N-[(3-chlorocyclopentyl)methyl]-2,5-difluorobenzamide is O=C(NCC1CCC(Cl)C1)c1cc(F)ccc1F.
What is the InChIKey of N-[(3-chlorocyclopentyl)methyl]-2,5-difluorobenzamide?
The InChIKey is WRMUNXCRVQHCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF2NO/c14-9-2-1-8(5-9)7-17-13(18)11-6-10(15)3-4-12(11)16/h3-4,6,8-9H,1-2,5,7H2,(H,17,18).
What are the key properties of N-[(3-chlorocyclopentyl)methyl]-2,5-difluorobenzamide?
N-[(3-chlorocyclopentyl)methyl]-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-[(3-chlorocyclopentyl)methyl]-2,5-difluorobenzamide is sourced from PubChem (CID 106126996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).