N-(1-chloro-4-methylpentan-2-yl)cyclooctanecarboxamide

C15H28ClNO — CID 113272544

IUPACN-(1-chloro-4-methylpentan-2-yl)cyclooctanecarboxamide
SMILESCC(C)CC(CCl)NC(=O)C1CCCCCCC1
InChIInChI=1S/C15H28ClNO/c1-12(2)10-14(11-16)17-15(18)13-8-6-4-3-5-7-9-13/h12-14H,3-11H2,1-2H3,(H,17,18)
InChIKeyKIRDOZIWZMFMDB-UHFFFAOYSA-N
MW273.85 g/mol
LogP4.12
Rot. Bonds5

About N-(1-chloro-4-methylpentan-2-yl)cyclooctanecarboxamide

N-(1-chloro-4-methylpentan-2-yl)cyclooctanecarboxamide (PubChem CID 113272544) has the molecular formula C15H28ClNO and a molecular weight of 273.85 g/mol. Its IUPAC name is N-(1-chloro-4-methylpentan-2-yl)cyclooctanecarboxamide.

Molecular Properties

Compound NameN-(1-chloro-4-methylpentan-2-yl)cyclooctanecarboxamide
PubChem CID113272544
Molecular FormulaC15H28ClNO
Molecular Weight273.85 g/mol
Exact Mass273.19
IUPAC NameN-(1-chloro-4-methylpentan-2-yl)cyclooctanecarboxamide
SMILESCC(C)CC(CCl)NC(=O)C1CCCCCCC1
InChIInChI=1S/C15H28ClNO/c1-12(2)10-14(11-16)17-15(18)13-8-6-4-3-5-7-9-13/h12-14H,3-11H2,1-2H3,(H,17,18)
InChIKeyKIRDOZIWZMFMDB-UHFFFAOYSA-N
XLogP4.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.85
LogP ≤ 54.12
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-hydroxy-4-methylpentan-2-yl)cycloheptanecarboxamide
CID 62588514
N-(1-amino-4-methylpentan-2-yl)cyclohexanecarboxamide;hydrochloride
CID 119260890
N-(1-amino-4-methylpentan-2-yl)cycloheptanecarboxamide
CID 63755259
N-(1-chloro-3-methoxypropan-2-yl)cyclopentanecarboxamide
CID 106182857
N-[(2R)-1-(dimethylamino)-4-methylpentan-2-yl]cyclobutanecarboxamide
CID 95159057
N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]cyclobutanecarboxamide
CID 95159056
N-(1-hydroxy-4-methylpentan-2-yl)cyclopropanecarboxamide
CID 61246468
N-(1-chloro-4-methylpentan-2-yl)oxolane-2-carboxamide
CID 114300828
2-(cyclooctanecarbonylamino)-4-methylpentanoic acid
CID 65018915
(2S)-2-(cycloheptanecarbonylamino)-4-methylpentanoic acid
CID 22872515
N-[(2S)-1-hydroxybutan-2-yl]cyclohexanecarboxamide
CID 854995
molecular hydrogen;N-propan-2-ylcyclohexanecarboxamide
CID 165395427

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-4-methylpentan-2-yl)cyclooctanecarboxamide?
The IUPAC name of N-(1-chloro-4-methylpentan-2-yl)cyclooctanecarboxamide (CID 113272544) is N-(1-chloro-4-methylpentan-2-yl)cyclooctanecarboxamide.
What is the SMILES notation for N-(1-chloro-4-methylpentan-2-yl)cyclooctanecarboxamide?
The canonical SMILES for N-(1-chloro-4-methylpentan-2-yl)cyclooctanecarboxamide is CC(C)CC(CCl)NC(=O)C1CCCCCCC1.
What is the InChIKey of N-(1-chloro-4-methylpentan-2-yl)cyclooctanecarboxamide?
The InChIKey is KIRDOZIWZMFMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28ClNO/c1-12(2)10-14(11-16)17-15(18)13-8-6-4-3-5-7-9-13/h12-14H,3-11H2,1-2H3,(H,17,18).
What are the key properties of N-(1-chloro-4-methylpentan-2-yl)cyclooctanecarboxamide?
N-(1-chloro-4-methylpentan-2-yl)cyclooctanecarboxamide has a molecular weight of 273.85 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-4-methylpentan-2-yl)cyclooctanecarboxamide is sourced from PubChem (CID 113272544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).