N-(2-chlorophenyl)hexanamide

C12H16ClNO — CID 4644560

IUPACN-(2-chlorophenyl)hexanamide
SMILESCCCCCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C12H16ClNO/c1-2-3-4-9-12(15)14-11-8-6-5-7-10(11)13/h5-8H,2-4,9H2,1H3,(H,14,15)
InChIKeyOAOTZYGOQZLYTH-UHFFFAOYSA-N
MW225.72 g/mol
LogP3.86
Rot. Bonds5

About N-(2-chlorophenyl)hexanamide

N-(2-chlorophenyl)hexanamide (PubChem CID 4644560) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is N-(2-chlorophenyl)hexanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)hexanamide
PubChem CID4644560
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC NameN-(2-chlorophenyl)hexanamide
SMILESCCCCCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C12H16ClNO/c1-2-3-4-9-12(15)14-11-8-6-5-7-10(11)13/h5-8H,2-4,9H2,1H3,(H,14,15)
InChIKeyOAOTZYGOQZLYTH-UHFFFAOYSA-N
XLogP3.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chlorophenyl)octanamide
CID 2292983
N-(2-chlorophenyl)-4-(octanoylamino)benzamide
CID 171980600
N-(2,5-dichlorophenyl)hexanamide
CID 5055577
N-(2,6-dichlorophenyl)decanamide
CID 3269237
N-(2-ethylphenyl)undecanamide
CID 5078439
N-(2-fluorophenyl)hexanamide
CID 3481165
N-(2-ethylphenyl)heptanamide
CID 4582103
N-(3-chloro-2-methylphenyl)-4-oxo-4-(2-tetradecanoylhydrazinyl)butanamide
CID 54791904
3-[acetyl(butyl)amino]-N-(2-chlorophenyl)propanamide
CID 113115826
N-(2,5-dichlorophenyl)heptanamide
CID 3294645
3-amino-N-(2-chlorophenyl)propanamide
CID 22692042
N-(2-chlorophenyl)-3-(ethylamino)propanamide
CID 62832290

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)hexanamide?
The IUPAC name of N-(2-chlorophenyl)hexanamide (CID 4644560) is N-(2-chlorophenyl)hexanamide.
What is the SMILES notation for N-(2-chlorophenyl)hexanamide?
The canonical SMILES for N-(2-chlorophenyl)hexanamide is CCCCCC(=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)hexanamide?
The InChIKey is OAOTZYGOQZLYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-2-3-4-9-12(15)14-11-8-6-5-7-10(11)13/h5-8H,2-4,9H2,1H3,(H,14,15).
What are the key properties of N-(2-chlorophenyl)hexanamide?
N-(2-chlorophenyl)hexanamide has a molecular weight of 225.72 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)hexanamide is sourced from PubChem (CID 4644560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).