2-(3,4-dichlorophenoxy)-N-[3-(2-fluorophenoxy)propyl]acetamide

C17H16Cl2FNO3 — CID 39490271

IUPAC2-(3,4-dichlorophenoxy)-N-[3-(2-fluorophenoxy)propyl]acetamide
SMILESO=C(COc1ccc(Cl)c(Cl)c1)NCCCOc1ccccc1F
InChIInChI=1S/C17H16Cl2FNO3/c18-13-7-6-12(10-14(13)19)24-11-17(22)21-8-3-9-23-16-5-2-1-4-15(16)20/h1-2,4-7,10H,3,8-9,11H2,(H,21,22)
InChIKeySCSZRVCTYYOJIP-UHFFFAOYSA-N
MW372.22 g/mol
LogP4.10
Rot. Bonds8

About 2-(3,4-dichlorophenoxy)-N-[3-(2-fluorophenoxy)propyl]acetamide

2-(3,4-dichlorophenoxy)-N-[3-(2-fluorophenoxy)propyl]acetamide (PubChem CID 39490271) has the molecular formula C17H16Cl2FNO3 and a molecular weight of 372.22 g/mol. Its IUPAC name is 2-(3,4-dichlorophenoxy)-N-[3-(2-fluorophenoxy)propyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenoxy)-N-[3-(2-fluorophenoxy)propyl]acetamide
PubChem CID39490271
Molecular FormulaC17H16Cl2FNO3
Molecular Weight372.22 g/mol
Exact Mass371.05
IUPAC Name2-(3,4-dichlorophenoxy)-N-[3-(2-fluorophenoxy)propyl]acetamide
SMILESO=C(COc1ccc(Cl)c(Cl)c1)NCCCOc1ccccc1F
InChIInChI=1S/C17H16Cl2FNO3/c18-13-7-6-12(10-14(13)19)24-11-17(22)21-8-3-9-23-16-5-2-1-4-15(16)20/h1-2,4-7,10H,3,8-9,11H2,(H,21,22)
InChIKeySCSZRVCTYYOJIP-UHFFFAOYSA-N
XLogP4.10
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.22
LogP ≤ 54.10
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-(3,4-dichlorophenoxy)-N-[(2-fluorophenyl)methyl]acetamide
CID 9196943
N-(2-aminoethyl)-2-(3,4-dichlorophenoxy)acetamide;hydrochloride
CID 119382882
2-(3-chloro-4-fluorophenoxy)-N-[3-(methylamino)propyl]acetamide
CID 119431591
N-[2-(2-fluorophenoxy)ethyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 7927599
5-bromo-2-chloro-N-[3-(2-fluorophenoxy)propyl]benzamide
CID 42571761
2-[[2-(3,4-dichlorophenoxy)acetyl]amino]ethyl carbamate
CID 175188468
2-(4-chloro-3-methylphenoxy)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 9289604
N-[2-(2-fluorophenoxy)ethyl]-2-(2-methylphenoxy)acetamide
CID 18113601
2-(2-ethoxyphenoxy)-N-[2-(2-fluorophenoxy)ethyl]acetamide
CID 8961012
N-[3-(2-fluorophenoxy)propyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 18120320
3-(3,4-dichlorophenoxy)propylcarbamic acid
CID 89477736
3-(3,5-dimethoxyphenyl)-N-[3-(2-fluorophenoxy)propyl]propanamide
CID 18120342

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenoxy)-N-[3-(2-fluorophenoxy)propyl]acetamide?
The IUPAC name of 2-(3,4-dichlorophenoxy)-N-[3-(2-fluorophenoxy)propyl]acetamide (CID 39490271) is 2-(3,4-dichlorophenoxy)-N-[3-(2-fluorophenoxy)propyl]acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenoxy)-N-[3-(2-fluorophenoxy)propyl]acetamide?
The canonical SMILES for 2-(3,4-dichlorophenoxy)-N-[3-(2-fluorophenoxy)propyl]acetamide is O=C(COc1ccc(Cl)c(Cl)c1)NCCCOc1ccccc1F.
What is the InChIKey of 2-(3,4-dichlorophenoxy)-N-[3-(2-fluorophenoxy)propyl]acetamide?
The InChIKey is SCSZRVCTYYOJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2FNO3/c18-13-7-6-12(10-14(13)19)24-11-17(22)21-8-3-9-23-16-5-2-1-4-15(16)20/h1-2,4-7,10H,3,8-9,11H2,(H,21,22).
What are the key properties of 2-(3,4-dichlorophenoxy)-N-[3-(2-fluorophenoxy)propyl]acetamide?
2-(3,4-dichlorophenoxy)-N-[3-(2-fluorophenoxy)propyl]acetamide has a molecular weight of 372.22 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenoxy)-N-[3-(2-fluorophenoxy)propyl]acetamide is sourced from PubChem (CID 39490271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).