N-(6-chlorohexyl)-2-(3-hydroxyphenyl)acetamide

C14H20ClNO2 — CID 107846976

IUPACN-(6-chlorohexyl)-2-(3-hydroxyphenyl)acetamide
SMILESO=C(Cc1cccc(O)c1)NCCCCCCCl
InChIInChI=1S/C14H20ClNO2/c15-8-3-1-2-4-9-16-14(18)11-12-6-5-7-13(17)10-12/h5-7,10,17H,1-4,8-9,11H2,(H,16,18)
InChIKeyDCUMIFIPZCJKJM-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.85
Rot. Bonds8

About N-(6-chlorohexyl)-2-(3-hydroxyphenyl)acetamide

N-(6-chlorohexyl)-2-(3-hydroxyphenyl)acetamide (PubChem CID 107846976) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is N-(6-chlorohexyl)-2-(3-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-(6-chlorohexyl)-2-(3-hydroxyphenyl)acetamide
PubChem CID107846976
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC NameN-(6-chlorohexyl)-2-(3-hydroxyphenyl)acetamide
SMILESO=C(Cc1cccc(O)c1)NCCCCCCCl
InChIInChI=1S/C14H20ClNO2/c15-8-3-1-2-4-9-16-14(18)11-12-6-5-7-13(17)10-12/h5-7,10,17H,1-4,8-9,11H2,(H,16,18)
InChIKeyDCUMIFIPZCJKJM-UHFFFAOYSA-N
XLogP2.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

2-(3-bromophenyl)-N-(5-chloropentyl)acetamide
CID 107320862
N-(5-chloropentyl)-2-(3-methoxyphenyl)acetamide
CID 107321415
2-(3-hydroxyphenyl)-N-[3-(methylamino)propyl]acetamide
CID 61399440
N-(2-cyanoethyl)-2-(3-hydroxyphenyl)acetamide
CID 62651288
N-(5-hydroxy-4-methylpentyl)-2-(3-hydroxyphenyl)acetamide
CID 113341295
2-(3-hydroxyphenyl)-N-(3-pyrrolidin-1-ylpropyl)acetamide
CID 62992551
N-(5-chloropentyl)-2-(4-methylphenyl)acetamide
CID 107320841
N-(5-chloropentyl)-2-naphthalen-1-ylacetamide
CID 107321302
N-(6-chlorohexyl)-2-(2,3-difluorophenyl)acetamide
CID 107846727
2-(3-hydroxyphenyl)-N-[2-(methanesulfonamido)ethyl]acetamide
CID 61399819
4-(chloromethyl)-N'-[2-(3-hydroxyphenyl)acetyl]benzohydrazide
CID 59422014
N-[[1-(chloromethyl)cyclopropyl]methyl]-2-(3-hydroxyphenyl)acetamide
CID 115455953

Frequently Asked Questions

What is the IUPAC name of N-(6-chlorohexyl)-2-(3-hydroxyphenyl)acetamide?
The IUPAC name of N-(6-chlorohexyl)-2-(3-hydroxyphenyl)acetamide (CID 107846976) is N-(6-chlorohexyl)-2-(3-hydroxyphenyl)acetamide.
What is the SMILES notation for N-(6-chlorohexyl)-2-(3-hydroxyphenyl)acetamide?
The canonical SMILES for N-(6-chlorohexyl)-2-(3-hydroxyphenyl)acetamide is O=C(Cc1cccc(O)c1)NCCCCCCCl.
What is the InChIKey of N-(6-chlorohexyl)-2-(3-hydroxyphenyl)acetamide?
The InChIKey is DCUMIFIPZCJKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c15-8-3-1-2-4-9-16-14(18)11-12-6-5-7-13(17)10-12/h5-7,10,17H,1-4,8-9,11H2,(H,16,18).
What are the key properties of N-(6-chlorohexyl)-2-(3-hydroxyphenyl)acetamide?
N-(6-chlorohexyl)-2-(3-hydroxyphenyl)acetamide has a molecular weight of 269.77 g/mol, XLogP of 2.85, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chlorohexyl)-2-(3-hydroxyphenyl)acetamide is sourced from PubChem (CID 107846976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).