N-[(1-chlorocyclopentyl)methyl]-2,3,4,5-tetrafluorobenzamide

C13H12ClF4NO — CID 166315439

IUPACN-[(1-chlorocyclopentyl)methyl]-2,3,4,5-tetrafluorobenzamide
SMILESO=C(NCC1(Cl)CCCC1)c1cc(F)c(F)c(F)c1F
InChIInChI=1S/C13H12ClF4NO/c14-13(3-1-2-4-13)6-19-12(20)7-5-8(15)10(17)11(18)9(7)16/h5H,1-4,6H2,(H,19,20)
InChIKeyZAEQSBJUWZPULW-UHFFFAOYSA-N
MW309.69 g/mol
LogP3.52
Rot. Bonds3

About N-[(1-chlorocyclopentyl)methyl]-2,3,4,5-tetrafluorobenzamide

N-[(1-chlorocyclopentyl)methyl]-2,3,4,5-tetrafluorobenzamide (PubChem CID 166315439) has the molecular formula C13H12ClF4NO and a molecular weight of 309.69 g/mol. Its IUPAC name is N-[(1-chlorocyclopentyl)methyl]-2,3,4,5-tetrafluorobenzamide.

Molecular Properties

Compound NameN-[(1-chlorocyclopentyl)methyl]-2,3,4,5-tetrafluorobenzamide
PubChem CID166315439
Molecular FormulaC13H12ClF4NO
Molecular Weight309.69 g/mol
Exact Mass309.05
IUPAC NameN-[(1-chlorocyclopentyl)methyl]-2,3,4,5-tetrafluorobenzamide
SMILESO=C(NCC1(Cl)CCCC1)c1cc(F)c(F)c(F)c1F
InChIInChI=1S/C13H12ClF4NO/c14-13(3-1-2-4-13)6-19-12(20)7-5-8(15)10(17)11(18)9(7)16/h5H,1-4,6H2,(H,19,20)
InChIKeyZAEQSBJUWZPULW-UHFFFAOYSA-N
XLogP3.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.69
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-[3-methyl-1-[[(2,3,4,5-tetrafluorobenzoyl)amino]methyl]cyclopentyl]acetic acid
CID 166313151
N-[2-[bis[2-[(2,3,4,5-tetrafluorobenzoyl)amino]ethyl]amino]ethyl]-2,3,4,5-tetrafluorobenzamide
CID 139198554
N-[[1-(chloromethyl)cyclohexyl]methyl]-2,3,4-trifluorobenzamide
CID 103969519
2,3,4,5-tetrafluoro-N-[(2R)-2-hydroxypropyl]benzamide
CID 83058281
2-chloro-4,5-difluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
CID 80717016
2-chloro-4,5-difluoro-N-[(1-hydroxycyclobutyl)methyl]benzamide
CID 111445199
N-[(1-aminocyclohexyl)methyl]-2,3,4-trifluorobenzamide;hydrochloride
CID 119404346
2,4-dichloro-5-fluoro-N-[(1-hydroxycyclobutyl)methyl]benzamide
CID 111445263
4-chloro-2-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115362566
2-[1-[[(2,3,4-trifluorobenzoyl)amino]methyl]cyclobutyl]acetic acid
CID 81165406
N-[[1-(bromomethyl)cyclopentyl]methyl]-4-chloro-2-fluorobenzamide
CID 113294802
5-chloro-2-fluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 18150722

Frequently Asked Questions

What is the IUPAC name of N-[(1-chlorocyclopentyl)methyl]-2,3,4,5-tetrafluorobenzamide?
The IUPAC name of N-[(1-chlorocyclopentyl)methyl]-2,3,4,5-tetrafluorobenzamide (CID 166315439) is N-[(1-chlorocyclopentyl)methyl]-2,3,4,5-tetrafluorobenzamide.
What is the SMILES notation for N-[(1-chlorocyclopentyl)methyl]-2,3,4,5-tetrafluorobenzamide?
The canonical SMILES for N-[(1-chlorocyclopentyl)methyl]-2,3,4,5-tetrafluorobenzamide is O=C(NCC1(Cl)CCCC1)c1cc(F)c(F)c(F)c1F.
What is the InChIKey of N-[(1-chlorocyclopentyl)methyl]-2,3,4,5-tetrafluorobenzamide?
The InChIKey is ZAEQSBJUWZPULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF4NO/c14-13(3-1-2-4-13)6-19-12(20)7-5-8(15)10(17)11(18)9(7)16/h5H,1-4,6H2,(H,19,20).
What are the key properties of N-[(1-chlorocyclopentyl)methyl]-2,3,4,5-tetrafluorobenzamide?
N-[(1-chlorocyclopentyl)methyl]-2,3,4,5-tetrafluorobenzamide has a molecular weight of 309.69 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-chlorocyclopentyl)methyl]-2,3,4,5-tetrafluorobenzamide is sourced from PubChem (CID 166315439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).