2-(2-chlorophenoxy)-N-(2-naphthalen-1-yloxyethyl)propanamide

C21H20ClNO3 — CID 133220502

IUPAC2-(2-chlorophenoxy)-N-(2-naphthalen-1-yloxyethyl)propanamide
SMILESCC(Oc1ccccc1Cl)C(=O)NCCOc1cccc2ccccc12
InChIInChI=1S/C21H20ClNO3/c1-15(26-20-11-5-4-10-18(20)22)21(24)23-13-14-25-19-12-6-8-16-7-2-3-9-17(16)19/h2-12,15H,13-14H2,1H3,(H,23,24)
InChIKeyGSJDORVOTDAANG-UHFFFAOYSA-N
MW369.85 g/mol
LogP4.46
Rot. Bonds7

About 2-(2-chlorophenoxy)-N-(2-naphthalen-1-yloxyethyl)propanamide

2-(2-chlorophenoxy)-N-(2-naphthalen-1-yloxyethyl)propanamide (PubChem CID 133220502) has the molecular formula C21H20ClNO3 and a molecular weight of 369.85 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-(2-naphthalen-1-yloxyethyl)propanamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-(2-naphthalen-1-yloxyethyl)propanamide
PubChem CID133220502
Molecular FormulaC21H20ClNO3
Molecular Weight369.85 g/mol
Exact Mass369.11
IUPAC Name2-(2-chlorophenoxy)-N-(2-naphthalen-1-yloxyethyl)propanamide
SMILESCC(Oc1ccccc1Cl)C(=O)NCCOc1cccc2ccccc12
InChIInChI=1S/C21H20ClNO3/c1-15(26-20-11-5-4-10-18(20)22)21(24)23-13-14-25-19-12-6-8-16-7-2-3-9-17(16)19/h2-12,15H,13-14H2,1H3,(H,23,24)
InChIKeyGSJDORVOTDAANG-UHFFFAOYSA-N
XLogP4.46
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylphenoxy)-N-(2-naphthalen-1-yloxyethyl)propanamide
CID 133220515
2-(2-chlorophenoxy)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 52988547
(2S)-2-(2-chlorophenoxy)-N-(3-methoxypropyl)propanamide
CID 42561381
2-(2,3-dichlorophenoxy)-N-(2-phenoxyethyl)propanamide
CID 55686865
2-chloro-N-(2-naphthalen-1-yloxyethyl)benzamide
CID 19174581
N-[2-(2-chlorophenoxy)ethyl]-2-(4-fluorophenoxy)propanamide
CID 133164174
N-[2-(4-tert-butylphenoxy)ethyl]-2-naphthalen-1-yloxypropanamide
CID 133164585
2-(4-tert-butylphenoxy)-N-[2-(2-chlorophenoxy)ethyl]propanamide
CID 133164114
(2S)-2-(2-chlorophenoxy)-N-[(4-fluorophenyl)methyl]propanamide
CID 26529894
2-(2,3-dichlorophenoxy)-N-(2-methoxyethyl)propanamide
CID 46452752
methyl 3-[2-(2-chlorophenoxy)propanoylamino]propanoate
CID 60739964
2-(2-chlorophenoxy)-N-[(2S)-2-hydroxypropyl]propanamide
CID 83030471

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-(2-naphthalen-1-yloxyethyl)propanamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-(2-naphthalen-1-yloxyethyl)propanamide (CID 133220502) is 2-(2-chlorophenoxy)-N-(2-naphthalen-1-yloxyethyl)propanamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-(2-naphthalen-1-yloxyethyl)propanamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-(2-naphthalen-1-yloxyethyl)propanamide is CC(Oc1ccccc1Cl)C(=O)NCCOc1cccc2ccccc12.
What is the InChIKey of 2-(2-chlorophenoxy)-N-(2-naphthalen-1-yloxyethyl)propanamide?
The InChIKey is GSJDORVOTDAANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClNO3/c1-15(26-20-11-5-4-10-18(20)22)21(24)23-13-14-25-19-12-6-8-16-7-2-3-9-17(16)19/h2-12,15H,13-14H2,1H3,(H,23,24).
What are the key properties of 2-(2-chlorophenoxy)-N-(2-naphthalen-1-yloxyethyl)propanamide?
2-(2-chlorophenoxy)-N-(2-naphthalen-1-yloxyethyl)propanamide has a molecular weight of 369.85 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-(2-naphthalen-1-yloxyethyl)propanamide is sourced from PubChem (CID 133220502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).