N-(5-bromo-2-iodophenyl)-3-cyclopentylpropanamide

C14H17BrINO — CID 114259223

IUPACN-(5-bromo-2-iodophenyl)-3-cyclopentylpropanamide
SMILESO=C(CCC1CCCC1)Nc1cc(Br)ccc1I
InChIInChI=1S/C14H17BrINO/c15-11-6-7-12(16)13(9-11)17-14(18)8-5-10-3-1-2-4-10/h6-7,9-10H,1-5,8H2,(H,17,18)
InChIKeyQPCJUYGSFZXAIQ-UHFFFAOYSA-N
MW422.10 g/mol
LogP4.96
Rot. Bonds4

About N-(5-bromo-2-iodophenyl)-3-cyclopentylpropanamide

N-(5-bromo-2-iodophenyl)-3-cyclopentylpropanamide (PubChem CID 114259223) has the molecular formula C14H17BrINO and a molecular weight of 422.10 g/mol. Its IUPAC name is N-(5-bromo-2-iodophenyl)-3-cyclopentylpropanamide.

Molecular Properties

Compound NameN-(5-bromo-2-iodophenyl)-3-cyclopentylpropanamide
PubChem CID114259223
Molecular FormulaC14H17BrINO
Molecular Weight422.10 g/mol
Exact Mass420.95
IUPAC NameN-(5-bromo-2-iodophenyl)-3-cyclopentylpropanamide
SMILESO=C(CCC1CCCC1)Nc1cc(Br)ccc1I
InChIInChI=1S/C14H17BrINO/c15-11-6-7-12(16)13(9-11)17-14(18)8-5-10-3-1-2-4-10/h6-7,9-10H,1-5,8H2,(H,17,18)
InChIKeyQPCJUYGSFZXAIQ-UHFFFAOYSA-N
XLogP4.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.10
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(5-bromo-2-carbamothioylphenyl)-3-cyclohexylpropanamide
CID 107798584
3-amino-N-(5-bromo-2-iodophenyl)-3-cyclopropylpropanamide
CID 113411984
N-(5-bromo-2-iodophenyl)propanamide
CID 47076747
N-(2-bromo-5-methylphenyl)-3-cyclopentylpropanamide
CID 82757064
N-(4-bromo-2,3-dimethylphenyl)-3-cyclohexylpropanamide
CID 957346
N-(2-acetamidophenyl)-3-cyclopentylpropanamide
CID 976246
N-(4-bromo-2-ethylphenyl)-3-piperidin-4-ylpropanamide
CID 81291964
3-bromo-4-(3-cyclopentylpropanoylamino)benzenesulfonyl chloride
CID 43096758
N-(5-bromo-2-methoxyphenyl)-3-piperidin-4-ylpropanamide
CID 62210447
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 7751571
3-cyclohexyl-N-[5-(3-cyclohexylpropanoylamino)naphthalen-1-yl]propanamide
CID 27126992
N-(4-bromo-2-fluorophenyl)-2-cycloheptylacetamide
CID 114457942

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-iodophenyl)-3-cyclopentylpropanamide?
The IUPAC name of N-(5-bromo-2-iodophenyl)-3-cyclopentylpropanamide (CID 114259223) is N-(5-bromo-2-iodophenyl)-3-cyclopentylpropanamide.
What is the SMILES notation for N-(5-bromo-2-iodophenyl)-3-cyclopentylpropanamide?
The canonical SMILES for N-(5-bromo-2-iodophenyl)-3-cyclopentylpropanamide is O=C(CCC1CCCC1)Nc1cc(Br)ccc1I.
What is the InChIKey of N-(5-bromo-2-iodophenyl)-3-cyclopentylpropanamide?
The InChIKey is QPCJUYGSFZXAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrINO/c15-11-6-7-12(16)13(9-11)17-14(18)8-5-10-3-1-2-4-10/h6-7,9-10H,1-5,8H2,(H,17,18).
What are the key properties of N-(5-bromo-2-iodophenyl)-3-cyclopentylpropanamide?
N-(5-bromo-2-iodophenyl)-3-cyclopentylpropanamide has a molecular weight of 422.10 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-iodophenyl)-3-cyclopentylpropanamide is sourced from PubChem (CID 114259223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).