N-butyl-5-chloropentanamide

C9H18ClNO — CID 28733165

IUPACN-butyl-5-chloropentanamide
SMILESCCCCNC(=O)CCCCCl
InChIInChI=1S/C9H18ClNO/c1-2-3-8-11-9(12)6-4-5-7-10/h2-8H2,1H3,(H,11,12)
InChIKeyQHSHGYGCGMLCST-UHFFFAOYSA-N
MW191.70 g/mol
LogP2.31
Rot. Bonds7

About N-butyl-5-chloropentanamide

N-butyl-5-chloropentanamide (PubChem CID 28733165) has the molecular formula C9H18ClNO and a molecular weight of 191.70 g/mol. Its IUPAC name is N-butyl-5-chloropentanamide.

Molecular Properties

Compound NameN-butyl-5-chloropentanamide
PubChem CID28733165
Molecular FormulaC9H18ClNO
Molecular Weight191.70 g/mol
Exact Mass191.11
IUPAC NameN-butyl-5-chloropentanamide
SMILESCCCCNC(=O)CCCCCl
InChIInChI=1S/C9H18ClNO/c1-2-3-8-11-9(12)6-4-5-7-10/h2-8H2,1H3,(H,11,12)
InChIKeyQHSHGYGCGMLCST-UHFFFAOYSA-N
XLogP2.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.70
LogP ≤ 52.31
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-butyl-4-chlorobutanamide
CID 4218503
5-chloro-N-nonylpentanamide
CID 91692760
N-(5-chloropentyl)dodecanamide
CID 107321143
N-(3-chloropropyl)dodecanamide
CID 17164369
N-[2-(3-chloropropanoylamino)ethyl]pentanamide
CID 108573823
6-(butylamino)-6-oxohexanoic acid
CID 43529485
N-pentylicosanamide
CID 139961886
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-[8-(heptanoylamino)octyl]heptanamide
CID 3252783

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-chloropentanamide?
The IUPAC name of N-butyl-5-chloropentanamide (CID 28733165) is N-butyl-5-chloropentanamide.
What is the SMILES notation for N-butyl-5-chloropentanamide?
The canonical SMILES for N-butyl-5-chloropentanamide is CCCCNC(=O)CCCCCl.
What is the InChIKey of N-butyl-5-chloropentanamide?
The InChIKey is QHSHGYGCGMLCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO/c1-2-3-8-11-9(12)6-4-5-7-10/h2-8H2,1H3,(H,11,12).
What are the key properties of N-butyl-5-chloropentanamide?
N-butyl-5-chloropentanamide has a molecular weight of 191.70 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-chloropentanamide is sourced from PubChem (CID 28733165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).