N-(1-chloro-2-phenylpropan-2-yl)cyclooctanecarboxamide

C18H26ClNO — CID 105059845

IUPACN-(1-chloro-2-phenylpropan-2-yl)cyclooctanecarboxamide
SMILESCC(CCl)(NC(=O)C1CCCCCCC1)c1ccccc1
InChIInChI=1S/C18H26ClNO/c1-18(14-19,16-12-8-5-9-13-16)20-17(21)15-10-6-3-2-4-7-11-15/h5,8-9,12-13,15H,2-4,6-7,10-11,14H2,1H3,(H,20,21)
InChIKeyVMHBQUMPINHILC-UHFFFAOYSA-N
MW307.86 g/mol
LogP4.62
Rot. Bonds4

About N-(1-chloro-2-phenylpropan-2-yl)cyclooctanecarboxamide

N-(1-chloro-2-phenylpropan-2-yl)cyclooctanecarboxamide (PubChem CID 105059845) has the molecular formula C18H26ClNO and a molecular weight of 307.86 g/mol. Its IUPAC name is N-(1-chloro-2-phenylpropan-2-yl)cyclooctanecarboxamide.

Molecular Properties

Compound NameN-(1-chloro-2-phenylpropan-2-yl)cyclooctanecarboxamide
PubChem CID105059845
Molecular FormulaC18H26ClNO
Molecular Weight307.86 g/mol
Exact Mass307.17
IUPAC NameN-(1-chloro-2-phenylpropan-2-yl)cyclooctanecarboxamide
SMILESCC(CCl)(NC(=O)C1CCCCCCC1)c1ccccc1
InChIInChI=1S/C18H26ClNO/c1-18(14-19,16-12-8-5-9-13-16)20-17(21)15-10-6-3-2-4-7-11-15/h5,8-9,12-13,15H,2-4,6-7,10-11,14H2,1H3,(H,20,21)
InChIKeyVMHBQUMPINHILC-UHFFFAOYSA-N
XLogP4.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.86
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(1-bromo-2-phenylpropan-2-yl)cycloheptanecarboxamide
CID 105060197
2-(cycloheptanecarbonylamino)-2-phenylpropanoic acid
CID 62586316
N-(1-bromo-2-phenylpropan-2-yl)-2-methylcyclopropane-1-carboxamide
CID 105059964
N-(1-chloro-2-phenylpropan-2-yl)-3-(oxolan-2-yl)propanamide
CID 105059667
N-(1-chloro-2-methylbutan-2-yl)cyclohexanecarboxamide
CID 114303618
(3R)-1-(cyclopropanecarbonyl)-N-[(2S)-1-methoxy-2-phenylpropan-2-yl]piperidine-3-carboxamide
CID 96559975
(3S)-1-(cyclopropanecarbonyl)-N-[(2S)-1-methoxy-2-phenylpropan-2-yl]piperidine-3-carboxamide
CID 96559977
N-(1-chloro-2-phenylpropan-2-yl)-2-methylbutanamide
CID 105059655
N-(1-chloro-2-phenylpropan-2-yl)-2-methylsulfonylacetamide
CID 105059666
N-(1-hydroxy-2-phenylpropan-2-yl)piperidine-2-carboxamide
CID 105058124
2-cyclohexyl-N-(1-hydroxy-2-phenylpropan-2-yl)acetamide
CID 105058964
N-(1-chloro-2-phenylpropan-2-yl)-2,6-difluorobenzamide
CID 105059916

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-2-phenylpropan-2-yl)cyclooctanecarboxamide?
The IUPAC name of N-(1-chloro-2-phenylpropan-2-yl)cyclooctanecarboxamide (CID 105059845) is N-(1-chloro-2-phenylpropan-2-yl)cyclooctanecarboxamide.
What is the SMILES notation for N-(1-chloro-2-phenylpropan-2-yl)cyclooctanecarboxamide?
The canonical SMILES for N-(1-chloro-2-phenylpropan-2-yl)cyclooctanecarboxamide is CC(CCl)(NC(=O)C1CCCCCCC1)c1ccccc1.
What is the InChIKey of N-(1-chloro-2-phenylpropan-2-yl)cyclooctanecarboxamide?
The InChIKey is VMHBQUMPINHILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClNO/c1-18(14-19,16-12-8-5-9-13-16)20-17(21)15-10-6-3-2-4-7-11-15/h5,8-9,12-13,15H,2-4,6-7,10-11,14H2,1H3,(H,20,21).
What are the key properties of N-(1-chloro-2-phenylpropan-2-yl)cyclooctanecarboxamide?
N-(1-chloro-2-phenylpropan-2-yl)cyclooctanecarboxamide has a molecular weight of 307.86 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-2-phenylpropan-2-yl)cyclooctanecarboxamide is sourced from PubChem (CID 105059845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).