N-(3-chlorobutyl)hexanamide

C10H20ClNO — CID 114301760

IUPACN-(3-chlorobutyl)hexanamide
SMILESCCCCCC(=O)NCCC(C)Cl
InChIInChI=1S/C10H20ClNO/c1-3-4-5-6-10(13)12-8-7-9(2)11/h9H,3-8H2,1-2H3,(H,12,13)
InChIKeyDIFALRKBYLORDW-UHFFFAOYSA-N
MW205.73 g/mol
LogP2.70
Rot. Bonds7

About N-(3-chlorobutyl)hexanamide

N-(3-chlorobutyl)hexanamide (PubChem CID 114301760) has the molecular formula C10H20ClNO and a molecular weight of 205.73 g/mol. Its IUPAC name is N-(3-chlorobutyl)hexanamide.

Molecular Properties

Compound NameN-(3-chlorobutyl)hexanamide
PubChem CID114301760
Molecular FormulaC10H20ClNO
Molecular Weight205.73 g/mol
Exact Mass205.12
IUPAC NameN-(3-chlorobutyl)hexanamide
SMILESCCCCCC(=O)NCCC(C)Cl
InChIInChI=1S/C10H20ClNO/c1-3-4-5-6-10(13)12-8-7-9(2)11/h9H,3-8H2,1-2H3,(H,12,13)
InChIKeyDIFALRKBYLORDW-UHFFFAOYSA-N
XLogP2.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.73
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chlorobutyl)heptanamide
CID 114753993
ethane;N-(3-methylbutyl)octadecanamide
CID 172601405
N-[2-(heptadecanoylamino)ethyl]heptadecanamide
CID 22065407
N-(3-chloro-4-methoxybutyl)nonanamide
CID 114163175
N-hexyl-6-methylheptanamide
CID 141197249
(Z)-N-(3-methylbutyl)docos-13-enamide
CID 170129980
N-[7-(dodecanoylamino)heptyl]dodecanamide
CID 4580774
N-pentylicosanamide
CID 139961886
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorobutyl)hexanamide?
The IUPAC name of N-(3-chlorobutyl)hexanamide (CID 114301760) is N-(3-chlorobutyl)hexanamide.
What is the SMILES notation for N-(3-chlorobutyl)hexanamide?
The canonical SMILES for N-(3-chlorobutyl)hexanamide is CCCCCC(=O)NCCC(C)Cl.
What is the InChIKey of N-(3-chlorobutyl)hexanamide?
The InChIKey is DIFALRKBYLORDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO/c1-3-4-5-6-10(13)12-8-7-9(2)11/h9H,3-8H2,1-2H3,(H,12,13).
What are the key properties of N-(3-chlorobutyl)hexanamide?
N-(3-chlorobutyl)hexanamide has a molecular weight of 205.73 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorobutyl)hexanamide is sourced from PubChem (CID 114301760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).