2-(4-acetamidophenoxy)-N-(3-chloro-4-fluorophenyl)propanamide

C17H16ClFN2O3 — CID 24511691

IUPAC2-(4-acetamidophenoxy)-N-(3-chloro-4-fluorophenyl)propanamide
SMILESCC(=O)Nc1ccc(OC(C)C(=O)Nc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C17H16ClFN2O3/c1-10(17(23)21-13-5-8-16(19)15(18)9-13)24-14-6-3-12(4-7-14)20-11(2)22/h3-10H,1-2H3,(H,20,22)(H,21,23)
InChIKeyUCJCBADQUISUSA-UHFFFAOYSA-N
MW350.78 g/mol
LogP3.84
Rot. Bonds5

About 2-(4-acetamidophenoxy)-N-(3-chloro-4-fluorophenyl)propanamide

2-(4-acetamidophenoxy)-N-(3-chloro-4-fluorophenyl)propanamide (PubChem CID 24511691) has the molecular formula C17H16ClFN2O3 and a molecular weight of 350.78 g/mol. Its IUPAC name is 2-(4-acetamidophenoxy)-N-(3-chloro-4-fluorophenyl)propanamide.

Molecular Properties

Compound Name2-(4-acetamidophenoxy)-N-(3-chloro-4-fluorophenyl)propanamide
PubChem CID24511691
Molecular FormulaC17H16ClFN2O3
Molecular Weight350.78 g/mol
Exact Mass350.08
IUPAC Name2-(4-acetamidophenoxy)-N-(3-chloro-4-fluorophenyl)propanamide
SMILESCC(=O)Nc1ccc(OC(C)C(=O)Nc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C17H16ClFN2O3/c1-10(17(23)21-13-5-8-16(19)15(18)9-13)24-14-6-3-12(4-7-14)20-11(2)22/h3-10H,1-2H3,(H,20,22)(H,21,23)
InChIKeyUCJCBADQUISUSA-UHFFFAOYSA-N
XLogP3.84
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.78
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(3-chloro-4-fluorophenyl)-2-(3,4-difluorophenoxy)propanamide
CID 8578068
N-(3-chloro-4-fluorophenyl)-2-(4-ethylphenoxy)propanamide
CID 4953359
N-(4-acetamidophenyl)-2-(4-chlorophenoxy)propanamide
CID 4943851
(2R)-N-(3,4-dichlorophenyl)-2-(4-fluorophenoxy)propanamide
CID 40721189
(2R)-2-(3-chloro-4-fluorophenoxy)-N-(3,5-dichlorophenyl)propanamide
CID 7751009
4-[[(2S)-2-(3-chloro-4-fluorophenoxy)propanoyl]amino]benzamide
CID 7751173
(2R)-2-(3-chloro-4-fluorophenoxy)-N-(3-chlorophenyl)propanamide
CID 7751006
N-(3-chloro-4-fluorophenyl)-3-[2-(4-methylphenoxy)propanoylamino]benzamide
CID 43877922
(2R)-2-(3-chloro-4-fluorophenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 8579900
(2R)-N-(3-chloro-4-fluorophenyl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 2683063
(2S)-N-(3-chloro-4-methylphenyl)-2-(4-fluorophenoxy)propanamide
CID 7734043
(2S)-N-(3-chloro-4-fluorophenyl)-2-(3-methyl-4-nitrophenoxy)propanamide
CID 9384234

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenoxy)-N-(3-chloro-4-fluorophenyl)propanamide?
The IUPAC name of 2-(4-acetamidophenoxy)-N-(3-chloro-4-fluorophenyl)propanamide (CID 24511691) is 2-(4-acetamidophenoxy)-N-(3-chloro-4-fluorophenyl)propanamide.
What is the SMILES notation for 2-(4-acetamidophenoxy)-N-(3-chloro-4-fluorophenyl)propanamide?
The canonical SMILES for 2-(4-acetamidophenoxy)-N-(3-chloro-4-fluorophenyl)propanamide is CC(=O)Nc1ccc(OC(C)C(=O)Nc2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of 2-(4-acetamidophenoxy)-N-(3-chloro-4-fluorophenyl)propanamide?
The InChIKey is UCJCBADQUISUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O3/c1-10(17(23)21-13-5-8-16(19)15(18)9-13)24-14-6-3-12(4-7-14)20-11(2)22/h3-10H,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 2-(4-acetamidophenoxy)-N-(3-chloro-4-fluorophenyl)propanamide?
2-(4-acetamidophenoxy)-N-(3-chloro-4-fluorophenyl)propanamide has a molecular weight of 350.78 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenoxy)-N-(3-chloro-4-fluorophenyl)propanamide is sourced from PubChem (CID 24511691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).