3-(2-chlorophenyl)-N-(2-phenoxyethoxy)propanamide

C17H18ClNO3 — CID 110632928

IUPAC3-(2-chlorophenyl)-N-(2-phenoxyethoxy)propanamide
SMILESO=C(CCc1ccccc1Cl)NOCCOc1ccccc1
InChIInChI=1S/C17H18ClNO3/c18-16-9-5-4-6-14(16)10-11-17(20)19-22-13-12-21-15-7-2-1-3-8-15/h1-9H,10-13H2,(H,19,20)
InChIKeyAJRVWPYGDSMHQG-UHFFFAOYSA-N
MW319.79 g/mol
LogP3.40
Rot. Bonds8

About 3-(2-chlorophenyl)-N-(2-phenoxyethoxy)propanamide

3-(2-chlorophenyl)-N-(2-phenoxyethoxy)propanamide (PubChem CID 110632928) has the molecular formula C17H18ClNO3 and a molecular weight of 319.79 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-(2-phenoxyethoxy)propanamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-(2-phenoxyethoxy)propanamide
PubChem CID110632928
Molecular FormulaC17H18ClNO3
Molecular Weight319.79 g/mol
Exact Mass319.10
IUPAC Name3-(2-chlorophenyl)-N-(2-phenoxyethoxy)propanamide
SMILESO=C(CCc1ccccc1Cl)NOCCOc1ccccc1
InChIInChI=1S/C17H18ClNO3/c18-16-9-5-4-6-14(16)10-11-17(20)19-22-13-12-21-15-7-2-1-3-8-15/h1-9H,10-13H2,(H,19,20)
InChIKeyAJRVWPYGDSMHQG-UHFFFAOYSA-N
XLogP3.40
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-phenoxyethoxy)-2-phenylacetamide
CID 110294668
3-(2-chlorophenyl)-N-(4-propoxyphenyl)propanamide
CID 17179035
N-(4-butoxyphenyl)-3-(2-chlorophenyl)propanamide
CID 17179033
3-(2-chlorophenyl)-N-[3-(2-methoxyethoxy)phenyl]propanamide
CID 17179095
1-chloro-2-(3-phenoxypropyl)benzene
CID 174487660
3-(2-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]propanamide
CID 82725506
N'-(3-aminopropanoyl)-3-(2-chlorophenyl)propanehydrazide
CID 94279919
3-(2-hydroxyphenyl)-N-(2-methoxyethoxy)propanamide
CID 79675926
4-(4-fluorophenyl)-4-oxo-N-(2-phenoxyethoxy)butanamide
CID 110311296
N'-[2-(4-bromophenoxy)acetyl]-3-(2-chlorophenyl)propanehydrazide
CID 17179158
N'-[3-(2-chlorophenyl)propanoyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 31464668
3-(2-chlorophenyl)-N-[[4-(3-phenylpropoxy)phenyl]carbamothioyl]propanamide
CID 17179432

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-(2-phenoxyethoxy)propanamide?
The IUPAC name of 3-(2-chlorophenyl)-N-(2-phenoxyethoxy)propanamide (CID 110632928) is 3-(2-chlorophenyl)-N-(2-phenoxyethoxy)propanamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-(2-phenoxyethoxy)propanamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-(2-phenoxyethoxy)propanamide is O=C(CCc1ccccc1Cl)NOCCOc1ccccc1.
What is the InChIKey of 3-(2-chlorophenyl)-N-(2-phenoxyethoxy)propanamide?
The InChIKey is AJRVWPYGDSMHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3/c18-16-9-5-4-6-14(16)10-11-17(20)19-22-13-12-21-15-7-2-1-3-8-15/h1-9H,10-13H2,(H,19,20).
What are the key properties of 3-(2-chlorophenyl)-N-(2-phenoxyethoxy)propanamide?
3-(2-chlorophenyl)-N-(2-phenoxyethoxy)propanamide has a molecular weight of 319.79 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-(2-phenoxyethoxy)propanamide is sourced from PubChem (CID 110632928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).