N-(3-chlorobutyl)heptanamide

C11H22ClNO — CID 114753993

IUPACN-(3-chlorobutyl)heptanamide
SMILESCCCCCCC(=O)NCCC(C)Cl
InChIInChI=1S/C11H22ClNO/c1-3-4-5-6-7-11(14)13-9-8-10(2)12/h10H,3-9H2,1-2H3,(H,13,14)
InChIKeyNSKMZMHSAOYSIO-UHFFFAOYSA-N
MW219.76 g/mol
LogP3.09
Rot. Bonds8

About N-(3-chlorobutyl)heptanamide

N-(3-chlorobutyl)heptanamide (PubChem CID 114753993) has the molecular formula C11H22ClNO and a molecular weight of 219.76 g/mol. Its IUPAC name is N-(3-chlorobutyl)heptanamide.

Molecular Properties

Compound NameN-(3-chlorobutyl)heptanamide
PubChem CID114753993
Molecular FormulaC11H22ClNO
Molecular Weight219.76 g/mol
Exact Mass219.14
IUPAC NameN-(3-chlorobutyl)heptanamide
SMILESCCCCCCC(=O)NCCC(C)Cl
InChIInChI=1S/C11H22ClNO/c1-3-4-5-6-7-11(14)13-9-8-10(2)12/h10H,3-9H2,1-2H3,(H,13,14)
InChIKeyNSKMZMHSAOYSIO-UHFFFAOYSA-N
XLogP3.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.76
LogP ≤ 53.09
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)hexanamide
CID 114301760
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
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
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-tetradecyloctanamide
CID 151737522

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorobutyl)heptanamide?
The IUPAC name of N-(3-chlorobutyl)heptanamide (CID 114753993) is N-(3-chlorobutyl)heptanamide.
What is the SMILES notation for N-(3-chlorobutyl)heptanamide?
The canonical SMILES for N-(3-chlorobutyl)heptanamide is CCCCCCC(=O)NCCC(C)Cl.
What is the InChIKey of N-(3-chlorobutyl)heptanamide?
The InChIKey is NSKMZMHSAOYSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO/c1-3-4-5-6-7-11(14)13-9-8-10(2)12/h10H,3-9H2,1-2H3,(H,13,14).
What are the key properties of N-(3-chlorobutyl)heptanamide?
N-(3-chlorobutyl)heptanamide has a molecular weight of 219.76 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorobutyl)heptanamide is sourced from PubChem (CID 114753993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).