6-chloro-N-(2-phenylethyl)hexanamide

C14H20ClNO — CID 154710700

IUPAC6-chloro-N-(2-phenylethyl)hexanamide
SMILESO=C(CCCCCCl)NCCc1ccccc1
InChIInChI=1S/C14H20ClNO/c15-11-6-2-5-9-14(17)16-12-10-13-7-3-1-4-8-13/h1,3-4,7-8H,2,5-6,9-12H2,(H,16,17)
InChIKeyHBWZRVFHJQXJGS-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.14
Rot. Bonds8

About 6-chloro-N-(2-phenylethyl)hexanamide

6-chloro-N-(2-phenylethyl)hexanamide (PubChem CID 154710700) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 6-chloro-N-(2-phenylethyl)hexanamide.

Molecular Properties

Compound Name6-chloro-N-(2-phenylethyl)hexanamide
PubChem CID154710700
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name6-chloro-N-(2-phenylethyl)hexanamide
SMILESO=C(CCCCCCl)NCCc1ccccc1
InChIInChI=1S/C14H20ClNO/c15-11-6-2-5-9-14(17)16-12-10-13-7-3-1-4-8-13/h1,3-4,7-8H,2,5-6,9-12H2,(H,16,17)
InChIKeyHBWZRVFHJQXJGS-UHFFFAOYSA-N
XLogP3.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.14
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-(2-phenylethyl)undec-10-enamide
CID 3930064
methyl 8-oxo-8-(2-phenylethylamino)octanoate
CID 42600200
4-phenyl-N-(2-phenylethyl)butanamide;propane
CID 143447835
5-(4-bromophenyl)-N-(2-phenylethyl)pentanamide
CID 55752390
8-(4-phenylbutanoylamino)octanoic acid
CID 71129906
6-oxo-6-(3-phenylpropylamino)hexanoic acid
CID 60913632
N-[3-[benzyl(methyl)amino]propyl]-5-chloropentanamide
CID 28971541
N-[2-(4-fluorophenyl)ethyl]-4-phenylbutanamide
CID 2288121
N-[2-(2-chloroethoxy)ethyl]-4-phenylbutanamide
CID 113271747
(9Z,12Z)-N-(2-phenylethyl)octadeca-9,12-dienamide
CID 162516977
N-(2-phenylethyl)-4-trimethoxysilylbutanamide
CID 174613430
5-oxo-N-(2-phenylethyl)octanamide
CID 90063979

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-phenylethyl)hexanamide?
The IUPAC name of 6-chloro-N-(2-phenylethyl)hexanamide (CID 154710700) is 6-chloro-N-(2-phenylethyl)hexanamide.
What is the SMILES notation for 6-chloro-N-(2-phenylethyl)hexanamide?
The canonical SMILES for 6-chloro-N-(2-phenylethyl)hexanamide is O=C(CCCCCCl)NCCc1ccccc1.
What is the InChIKey of 6-chloro-N-(2-phenylethyl)hexanamide?
The InChIKey is HBWZRVFHJQXJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c15-11-6-2-5-9-14(17)16-12-10-13-7-3-1-4-8-13/h1,3-4,7-8H,2,5-6,9-12H2,(H,16,17).
What are the key properties of 6-chloro-N-(2-phenylethyl)hexanamide?
6-chloro-N-(2-phenylethyl)hexanamide has a molecular weight of 253.77 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-phenylethyl)hexanamide is sourced from PubChem (CID 154710700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).