N-(1-iodo-3-methylbutan-2-yl)cyclopentanecarboxamide

C11H20INO — CID 107860157

IUPACN-(1-iodo-3-methylbutan-2-yl)cyclopentanecarboxamide
SMILESCC(C)C(CI)NC(=O)C1CCCC1
InChIInChI=1S/C11H20INO/c1-8(2)10(7-12)13-11(14)9-5-3-4-6-9/h8-10H,3-7H2,1-2H3,(H,13,14)
InChIKeyOZZVVBIIROCDJV-UHFFFAOYSA-N
MW309.19 g/mol
LogP2.75
Rot. Bonds4

About N-(1-iodo-3-methylbutan-2-yl)cyclopentanecarboxamide

N-(1-iodo-3-methylbutan-2-yl)cyclopentanecarboxamide (PubChem CID 107860157) has the molecular formula C11H20INO and a molecular weight of 309.19 g/mol. Its IUPAC name is N-(1-iodo-3-methylbutan-2-yl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(1-iodo-3-methylbutan-2-yl)cyclopentanecarboxamide
PubChem CID107860157
Molecular FormulaC11H20INO
Molecular Weight309.19 g/mol
Exact Mass309.06
IUPAC NameN-(1-iodo-3-methylbutan-2-yl)cyclopentanecarboxamide
SMILESCC(C)C(CI)NC(=O)C1CCCC1
InChIInChI=1S/C11H20INO/c1-8(2)10(7-12)13-11(14)9-5-3-4-6-9/h8-10H,3-7H2,1-2H3,(H,13,14)
InChIKeyOZZVVBIIROCDJV-UHFFFAOYSA-N
XLogP2.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.19
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-Butyl-2-ethylhexanamide
CID 24058
Valeramide, N-isopropyl-2-propyl-
CID 200920
N-(Cyclopentylmethyl)cyclopentanecarboxamide
CID 84505496
N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]cyclopentanecarboxamide
CID 90674949
Valeramide, N-cyclopentyl-2-propyl-
CID 211205
(1S,11R)-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 110199279
N-[2-(cyclopentanecarbonylamino)propyl]cyclopentanecarboxamide
CID 4164939
N-cyclohexylcyclopentanecarboxamide
CID 836619
N-cycloheptylcyclopentanecarboxamide
CID 897092
N-cycloheptyl-2-cyclopentylacetamide
CID 40234300
N-cyclohexyl-2-cyclopentylacetamide
CID 54786269
N-isobutylcyclopentanecarboxamide
CID 4460755

Frequently Asked Questions

What is the IUPAC name of N-(1-iodo-3-methylbutan-2-yl)cyclopentanecarboxamide?
The IUPAC name of N-(1-iodo-3-methylbutan-2-yl)cyclopentanecarboxamide (CID 107860157) is N-(1-iodo-3-methylbutan-2-yl)cyclopentanecarboxamide.
What is the SMILES notation for N-(1-iodo-3-methylbutan-2-yl)cyclopentanecarboxamide?
The canonical SMILES for N-(1-iodo-3-methylbutan-2-yl)cyclopentanecarboxamide is CC(C)C(CI)NC(=O)C1CCCC1.
What is the InChIKey of N-(1-iodo-3-methylbutan-2-yl)cyclopentanecarboxamide?
The InChIKey is OZZVVBIIROCDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20INO/c1-8(2)10(7-12)13-11(14)9-5-3-4-6-9/h8-10H,3-7H2,1-2H3,(H,13,14).
What are the key properties of N-(1-iodo-3-methylbutan-2-yl)cyclopentanecarboxamide?
N-(1-iodo-3-methylbutan-2-yl)cyclopentanecarboxamide has a molecular weight of 309.19 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-iodo-3-methylbutan-2-yl)cyclopentanecarboxamide is sourced from PubChem (CID 107860157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).