N-[2-(2-chlorophenoxy)ethyl]-3-(4-methoxyphenyl)propanamide

C18H20ClNO3 — CID 578621

IUPACN-[2-(2-chlorophenoxy)ethyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCCOc2ccccc2Cl)cc1
InChIInChI=1S/C18H20ClNO3/c1-22-15-9-6-14(7-10-15)8-11-18(21)20-12-13-23-17-5-3-2-4-16(17)19/h2-7,9-10H,8,11-13H2,1H3,(H,20,21)
InChIKeyHALDWUUACXAZNB-UHFFFAOYSA-N
MW333.82 g/mol
LogP3.48
Rot. Bonds8

About N-[2-(2-chlorophenoxy)ethyl]-3-(4-methoxyphenyl)propanamide

N-[2-(2-chlorophenoxy)ethyl]-3-(4-methoxyphenyl)propanamide (PubChem CID 578621) has the molecular formula C18H20ClNO3 and a molecular weight of 333.82 g/mol. Its IUPAC name is N-[2-(2-chlorophenoxy)ethyl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenoxy)ethyl]-3-(4-methoxyphenyl)propanamide
PubChem CID578621
Molecular FormulaC18H20ClNO3
Molecular Weight333.82 g/mol
Exact Mass333.11
IUPAC NameN-[2-(2-chlorophenoxy)ethyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCCOc2ccccc2Cl)cc1
InChIInChI=1S/C18H20ClNO3/c1-22-15-9-6-14(7-10-15)8-11-18(21)20-12-13-23-17-5-3-2-4-16(17)19/h2-7,9-10H,8,11-13H2,1H3,(H,20,21)
InChIKeyHALDWUUACXAZNB-UHFFFAOYSA-N
XLogP3.48
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.48
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

N-(2-Aminoethyl)-2-(3-chloro-4-((4-isopropylbenzyl)oxy)phenyl) acetamide
CID 6102763
N-benzyl-2-(2-chlorophenoxy)acetamide
CID 707236
N-[2-(3-methylphenoxy)ethyl]-3-phenylpropanamide
CID 1720819
N-[2-(2-chlorophenoxy)ethyl]-2-methylbenzamide
CID 2195027
2-(4-fluorophenyl)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 2216265
2-(2-chlorophenoxy)-N-(1-phenylethyl)acetamide
CID 2787215
N-[2-(4-chlorophenyl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 7688715
N-[2-(4-Chlorophenoxy)ethyl]-3-(4-methoxyphenyl)propanamide
CID 578622
4-tert-butyl-N-[2-(2-chlorophenoxy)ethyl]benzamide
CID 1824799
N-[2-(1-cyclohexen-1-yl)ethyl]-2-(2,4-dichlorophenoxy)propanamide
CID 2899212
N-[2-(3,4-dimethylphenoxy)ethyl]-3-phenylpropanamide
CID 2876922
Alanine, N-(2,4-dichloro-phenoxyacetyl)-3-phenyl-, DL-
CID 45074

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenoxy)ethyl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-[2-(2-chlorophenoxy)ethyl]-3-(4-methoxyphenyl)propanamide (CID 578621) is N-[2-(2-chlorophenoxy)ethyl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[2-(2-chlorophenoxy)ethyl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-[2-(2-chlorophenoxy)ethyl]-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)NCCOc2ccccc2Cl)cc1.
What is the InChIKey of N-[2-(2-chlorophenoxy)ethyl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is HALDWUUACXAZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO3/c1-22-15-9-6-14(7-10-15)8-11-18(21)20-12-13-23-17-5-3-2-4-16(17)19/h2-7,9-10H,8,11-13H2,1H3,(H,20,21).
What are the key properties of N-[2-(2-chlorophenoxy)ethyl]-3-(4-methoxyphenyl)propanamide?
N-[2-(2-chlorophenoxy)ethyl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 333.82 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenoxy)ethyl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 578621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).