N-[2-(4-chlorophenyl)-2-hydroxyethyl]nonanamide

C17H26ClNO2 — CID 86076853

IUPACN-[2-(4-chlorophenyl)-2-hydroxyethyl]nonanamide
SMILESCCCCCCCCC(=O)NCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C17H26ClNO2/c1-2-3-4-5-6-7-8-17(21)19-13-16(20)14-9-11-15(18)12-10-14/h9-12,16,20H,2-8,13H2,1H3,(H,19,21)
InChIKeyMEJCJIFWODKUED-UHFFFAOYSA-N
MW311.85 g/mol
LogP4.24
Rot. Bonds10

About N-[2-(4-chlorophenyl)-2-hydroxyethyl]nonanamide

N-[2-(4-chlorophenyl)-2-hydroxyethyl]nonanamide (PubChem CID 86076853) has the molecular formula C17H26ClNO2 and a molecular weight of 311.85 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-hydroxyethyl]nonanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-hydroxyethyl]nonanamide
PubChem CID86076853
Molecular FormulaC17H26ClNO2
Molecular Weight311.85 g/mol
Exact Mass311.17
IUPAC NameN-[2-(4-chlorophenyl)-2-hydroxyethyl]nonanamide
SMILESCCCCCCCCC(=O)NCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C17H26ClNO2/c1-2-3-4-5-6-7-8-17(21)19-13-16(20)14-9-11-15(18)12-10-14/h9-12,16,20H,2-8,13H2,1H3,(H,19,21)
InChIKeyMEJCJIFWODKUED-UHFFFAOYSA-N
XLogP4.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.85
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]tetradecanamide
CID 71458404
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-ethoxyacetamide
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(1R)-1-(4-chlorophenyl)heptan-1-ol
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(1R)-1-(4-chlorophenyl)undecan-1-ol
CID 98483140
7-amino-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]heptanamide
CID 119730561
N-(2-chloro-2-phenylethyl)heptanamide
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N-(2-chloro-2-phenylethyl)decanamide
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N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylpropanamide
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CID 4195215

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxyethyl]nonanamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxyethyl]nonanamide (CID 86076853) is N-[2-(4-chlorophenyl)-2-hydroxyethyl]nonanamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-hydroxyethyl]nonanamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-hydroxyethyl]nonanamide is CCCCCCCCC(=O)NCC(O)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-hydroxyethyl]nonanamide?
The InChIKey is MEJCJIFWODKUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO2/c1-2-3-4-5-6-7-8-17(21)19-13-16(20)14-9-11-15(18)12-10-14/h9-12,16,20H,2-8,13H2,1H3,(H,19,21).
What are the key properties of N-[2-(4-chlorophenyl)-2-hydroxyethyl]nonanamide?
N-[2-(4-chlorophenyl)-2-hydroxyethyl]nonanamide has a molecular weight of 311.85 g/mol, XLogP of 4.24, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-hydroxyethyl]nonanamide is sourced from PubChem (CID 86076853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).