N-(2-chlorobutyl)-2-cycloheptylacetamide

C13H24ClNO — CID 114459139

IUPACN-(2-chlorobutyl)-2-cycloheptylacetamide
SMILESCCC(Cl)CNC(=O)CC1CCCCCC1
InChIInChI=1S/C13H24ClNO/c1-2-12(14)10-15-13(16)9-11-7-5-3-4-6-8-11/h11-12H,2-10H2,1H3,(H,15,16)
InChIKeyPPAZRGSHRLXSDM-UHFFFAOYSA-N
MW245.79 g/mol
LogP3.48
Rot. Bonds5

About N-(2-chlorobutyl)-2-cycloheptylacetamide

N-(2-chlorobutyl)-2-cycloheptylacetamide (PubChem CID 114459139) has the molecular formula C13H24ClNO and a molecular weight of 245.79 g/mol. Its IUPAC name is N-(2-chlorobutyl)-2-cycloheptylacetamide.

Molecular Properties

Compound NameN-(2-chlorobutyl)-2-cycloheptylacetamide
PubChem CID114459139
Molecular FormulaC13H24ClNO
Molecular Weight245.79 g/mol
Exact Mass245.15
IUPAC NameN-(2-chlorobutyl)-2-cycloheptylacetamide
SMILESCCC(Cl)CNC(=O)CC1CCCCCC1
InChIInChI=1S/C13H24ClNO/c1-2-12(14)10-15-13(16)9-11-7-5-3-4-6-8-11/h11-12H,2-10H2,1H3,(H,15,16)
InChIKeyPPAZRGSHRLXSDM-UHFFFAOYSA-N
XLogP3.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.79
LogP ≤ 53.48
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

2-cycloheptyl-N-[(2S)-2-hydroxypropyl]acetamide
CID 103884693
2-cyclopentyl-N-(2-hydroxypropyl)acetamide
CID 60654176
2-cyclohexyl-N-[2-(methylamino)propyl]acetamide
CID 103512587
N-(2-chloro-3-methoxypropyl)-2-cyclopropylacetamide
CID 114298835
N-(4-bromo-2-ethylbutyl)-2-cyclopentylacetamide
CID 114317695
2-cyclopentyl-N-[2-[(2-cyclopentylacetyl)amino]propyl]acetamide
CID 54786980
N-(2-amino-3-hydroxybutyl)-2-cyclohexylacetamide
CID 64542106
N-(2-amino-4-methylpentyl)-2-cyclohexylacetamide
CID 107158692
2-cyclopentyl-N-(2,3-dihydroxypropyl)acetamide
CID 66175167
N-(2-aminobutyl)-2-cyclopropylacetamide
CID 63733245
2-cyclopentyl-N-(2-hydroxy-4-methylpentyl)acetamide
CID 103770830
2-cyclopentyl-N-(4-hydroxy-2-methylbutyl)acetamide
CID 66107291

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorobutyl)-2-cycloheptylacetamide?
The IUPAC name of N-(2-chlorobutyl)-2-cycloheptylacetamide (CID 114459139) is N-(2-chlorobutyl)-2-cycloheptylacetamide.
What is the SMILES notation for N-(2-chlorobutyl)-2-cycloheptylacetamide?
The canonical SMILES for N-(2-chlorobutyl)-2-cycloheptylacetamide is CCC(Cl)CNC(=O)CC1CCCCCC1.
What is the InChIKey of N-(2-chlorobutyl)-2-cycloheptylacetamide?
The InChIKey is PPAZRGSHRLXSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClNO/c1-2-12(14)10-15-13(16)9-11-7-5-3-4-6-8-11/h11-12H,2-10H2,1H3,(H,15,16).
What are the key properties of N-(2-chlorobutyl)-2-cycloheptylacetamide?
N-(2-chlorobutyl)-2-cycloheptylacetamide has a molecular weight of 245.79 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorobutyl)-2-cycloheptylacetamide is sourced from PubChem (CID 114459139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).