N-(2-chlorophenyl)octanamide

C14H20ClNO — CID 2292983

IUPACN-(2-chlorophenyl)octanamide
SMILESCCCCCCCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C14H20ClNO/c1-2-3-4-5-6-11-14(17)16-13-10-8-7-9-12(13)15/h7-10H,2-6,11H2,1H3,(H,16,17)
InChIKeyFEYRPSIRRLRAFC-UHFFFAOYSA-N
MW253.77 g/mol
LogP4.64
Rot. Bonds7

About N-(2-chlorophenyl)octanamide

N-(2-chlorophenyl)octanamide (PubChem CID 2292983) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is N-(2-chlorophenyl)octanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)octanamide
PubChem CID2292983
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC NameN-(2-chlorophenyl)octanamide
SMILESCCCCCCCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C14H20ClNO/c1-2-3-4-5-6-11-14(17)16-13-10-8-7-9-12(13)15/h7-10H,2-6,11H2,1H3,(H,16,17)
InChIKeyFEYRPSIRRLRAFC-UHFFFAOYSA-N
XLogP4.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 54.64
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)hexanamide
CID 4644560
N-(2-chlorophenyl)-4-(octanoylamino)benzamide
CID 171980600
N-(2,6-dichlorophenyl)decanamide
CID 3269237
N-(2-ethylphenyl)undecanamide
CID 5078439
N-(2-ethylphenyl)heptanamide
CID 4582103
N-(3-chloro-2-methylphenyl)-4-oxo-4-(2-tetradecanoylhydrazinyl)butanamide
CID 54791904
N-(2,5-dichlorophenyl)heptanamide
CID 3294645
N-naphthalen-1-yldodecanamide
CID 588517
N-(2-aminophenyl)octadecanamide
CID 68839220
N-(2-chloro-4-hydroxyphenyl)nonanamide
CID 65427497
2-(hexacosanoylamino)benzoic acid
CID 123304158
N-(2,5-dichlorophenyl)hexanamide
CID 5055577

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)octanamide?
The IUPAC name of N-(2-chlorophenyl)octanamide (CID 2292983) is N-(2-chlorophenyl)octanamide.
What is the SMILES notation for N-(2-chlorophenyl)octanamide?
The canonical SMILES for N-(2-chlorophenyl)octanamide is CCCCCCCC(=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)octanamide?
The InChIKey is FEYRPSIRRLRAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-2-3-4-5-6-11-14(17)16-13-10-8-7-9-12(13)15/h7-10H,2-6,11H2,1H3,(H,16,17).
What are the key properties of N-(2-chlorophenyl)octanamide?
N-(2-chlorophenyl)octanamide has a molecular weight of 253.77 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)octanamide is sourced from PubChem (CID 2292983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).