2-chloro-N-cyclopentyloxy-4,5-difluorobenzamide

C12H12ClF2NO2 — CID 83203003

IUPAC2-chloro-N-cyclopentyloxy-4,5-difluorobenzamide
SMILESO=C(NOC1CCCC1)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C12H12ClF2NO2/c13-9-6-11(15)10(14)5-8(9)12(17)16-18-7-3-1-2-4-7/h5-7H,1-4H2,(H,16,17)
InChIKeyRQMRFZCJXAVJAF-UHFFFAOYSA-N
MW275.68 g/mol
LogP3.22
Rot. Bonds3

About 2-chloro-N-cyclopentyloxy-4,5-difluorobenzamide

2-chloro-N-cyclopentyloxy-4,5-difluorobenzamide (PubChem CID 83203003) has the molecular formula C12H12ClF2NO2 and a molecular weight of 275.68 g/mol. Its IUPAC name is 2-chloro-N-cyclopentyloxy-4,5-difluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-cyclopentyloxy-4,5-difluorobenzamide
PubChem CID83203003
Molecular FormulaC12H12ClF2NO2
Molecular Weight275.68 g/mol
Exact Mass275.05
IUPAC Name2-chloro-N-cyclopentyloxy-4,5-difluorobenzamide
SMILESO=C(NOC1CCCC1)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C12H12ClF2NO2/c13-9-6-11(15)10(14)5-8(9)12(17)16-18-7-3-1-2-4-7/h5-7H,1-4H2,(H,16,17)
InChIKeyRQMRFZCJXAVJAF-UHFFFAOYSA-N
XLogP3.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.68
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-cyclopentyloxy-2-fluorobenzamide
CID 83202518
2-chloro-N-cyclopentyloxy-4-methylbenzamide
CID 103581971
3,5-dichloro-N-cyclopentyloxy-2-iodobenzamide
CID 83235310
N-cyclopentyloxy-3,5-difluorobenzamide
CID 83202361
2,6-dichloro-N-cyclopentyloxybenzamide
CID 83216790
N-cyclopentyloxy-2-fluoro-4-nitrobenzamide
CID 83202341
N-[2-(aminomethyl)cyclopentyl]-2-chloro-4,5-difluorobenzamide
CID 119603606
3-bromo-N-cyclopentyloxy-2-fluorobenzamide
CID 106544780
2-chloro-N-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-difluorobenzamide
CID 31870921
3-chloro-N-cyclopentyloxythiophene-2-carboxamide
CID 83235964
2-chloro-4,5-difluoro-N-piperidin-4-ylbenzamide
CID 119388800
4-chloro-2-fluoro-N-[(2S)-oxan-2-yl]oxybenzamide
CID 52828159

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopentyloxy-4,5-difluorobenzamide?
The IUPAC name of 2-chloro-N-cyclopentyloxy-4,5-difluorobenzamide (CID 83203003) is 2-chloro-N-cyclopentyloxy-4,5-difluorobenzamide.
What is the SMILES notation for 2-chloro-N-cyclopentyloxy-4,5-difluorobenzamide?
The canonical SMILES for 2-chloro-N-cyclopentyloxy-4,5-difluorobenzamide is O=C(NOC1CCCC1)c1cc(F)c(F)cc1Cl.
What is the InChIKey of 2-chloro-N-cyclopentyloxy-4,5-difluorobenzamide?
The InChIKey is RQMRFZCJXAVJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClF2NO2/c13-9-6-11(15)10(14)5-8(9)12(17)16-18-7-3-1-2-4-7/h5-7H,1-4H2,(H,16,17).
What are the key properties of 2-chloro-N-cyclopentyloxy-4,5-difluorobenzamide?
2-chloro-N-cyclopentyloxy-4,5-difluorobenzamide has a molecular weight of 275.68 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopentyloxy-4,5-difluorobenzamide is sourced from PubChem (CID 83203003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).