3,5-dichloro-N-cyclopentyloxy-2-iodobenzamide

C12H12Cl2INO2 — CID 83235310

IUPAC3,5-dichloro-N-cyclopentyloxy-2-iodobenzamide
SMILESO=C(NOC1CCCC1)c1cc(Cl)cc(Cl)c1I
InChIInChI=1S/C12H12Cl2INO2/c13-7-5-9(11(15)10(14)6-7)12(17)16-18-8-3-1-2-4-8/h5-6,8H,1-4H2,(H,16,17)
InChIKeyWKDBHUYEUWBQRF-UHFFFAOYSA-N
MW400.04 g/mol
LogP4.20
Rot. Bonds3

About 3,5-dichloro-N-cyclopentyloxy-2-iodobenzamide

3,5-dichloro-N-cyclopentyloxy-2-iodobenzamide (PubChem CID 83235310) has the molecular formula C12H12Cl2INO2 and a molecular weight of 400.04 g/mol. Its IUPAC name is 3,5-dichloro-N-cyclopentyloxy-2-iodobenzamide.

Molecular Properties

Compound Name3,5-dichloro-N-cyclopentyloxy-2-iodobenzamide
PubChem CID83235310
Molecular FormulaC12H12Cl2INO2
Molecular Weight400.04 g/mol
Exact Mass398.93
IUPAC Name3,5-dichloro-N-cyclopentyloxy-2-iodobenzamide
SMILESO=C(NOC1CCCC1)c1cc(Cl)cc(Cl)c1I
InChIInChI=1S/C12H12Cl2INO2/c13-7-5-9(11(15)10(14)6-7)12(17)16-18-8-3-1-2-4-8/h5-6,8H,1-4H2,(H,16,17)
InChIKeyWKDBHUYEUWBQRF-UHFFFAOYSA-N
XLogP4.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.04
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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-4,5-difluorobenzamide
CID 83203003
3,5-dichloro-N-ethoxy-2-iodobenzamide
CID 60700722
2-chloro-N-cyclopentyloxy-4-methylbenzamide
CID 103581971
3-[(3,5-dichloro-2-iodobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63042553
2,6-dichloro-N-cyclopentyloxybenzamide
CID 83216790
N-cyclopentyloxy-2-(2,4-dichlorophenoxy)acetamide
CID 83202778
3-chloro-N-cyclopentyloxythiophene-2-carboxamide
CID 83235964
methyl (3S)-1-(3,5-dichloro-2-iodobenzoyl)piperidine-3-carboxylate
CID 78919362
3,5-dichloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-iodobenzamide
CID 114630703
(2S)-1-(3,5-dichloro-2-iodobenzoyl)piperidine-2-carboxylic acid
CID 66264568
3,5-dichloro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-iodobenzamide
CID 107866638

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-cyclopentyloxy-2-iodobenzamide?
The IUPAC name of 3,5-dichloro-N-cyclopentyloxy-2-iodobenzamide (CID 83235310) is 3,5-dichloro-N-cyclopentyloxy-2-iodobenzamide.
What is the SMILES notation for 3,5-dichloro-N-cyclopentyloxy-2-iodobenzamide?
The canonical SMILES for 3,5-dichloro-N-cyclopentyloxy-2-iodobenzamide is O=C(NOC1CCCC1)c1cc(Cl)cc(Cl)c1I.
What is the InChIKey of 3,5-dichloro-N-cyclopentyloxy-2-iodobenzamide?
The InChIKey is WKDBHUYEUWBQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2INO2/c13-7-5-9(11(15)10(14)6-7)12(17)16-18-8-3-1-2-4-8/h5-6,8H,1-4H2,(H,16,17).
What are the key properties of 3,5-dichloro-N-cyclopentyloxy-2-iodobenzamide?
3,5-dichloro-N-cyclopentyloxy-2-iodobenzamide has a molecular weight of 400.04 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-cyclopentyloxy-2-iodobenzamide is sourced from PubChem (CID 83235310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).