N-(2-chloro-4-fluorophenyl)-2-(4-propan-2-ylphenoxy)acetamide

C17H17ClFNO2 — CID 26216318

IUPACN-(2-chloro-4-fluorophenyl)-2-(4-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccc(OCC(=O)Nc2ccc(F)cc2Cl)cc1
InChIInChI=1S/C17H17ClFNO2/c1-11(2)12-3-6-14(7-4-12)22-10-17(21)20-16-8-5-13(19)9-15(16)18/h3-9,11H,10H2,1-2H3,(H,20,21)
InChIKeySTIGVXGPLHHAGW-UHFFFAOYSA-N
MW321.78 g/mol
LogP4.62
Rot. Bonds5

About N-(2-chloro-4-fluorophenyl)-2-(4-propan-2-ylphenoxy)acetamide

N-(2-chloro-4-fluorophenyl)-2-(4-propan-2-ylphenoxy)acetamide (PubChem CID 26216318) has the molecular formula C17H17ClFNO2 and a molecular weight of 321.78 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-2-(4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-2-(4-propan-2-ylphenoxy)acetamide
PubChem CID26216318
Molecular FormulaC17H17ClFNO2
Molecular Weight321.78 g/mol
Exact Mass321.09
IUPAC NameN-(2-chloro-4-fluorophenyl)-2-(4-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccc(OCC(=O)Nc2ccc(F)cc2Cl)cc1
InChIInChI=1S/C17H17ClFNO2/c1-11(2)12-3-6-14(7-4-12)22-10-17(21)20-16-8-5-13(19)9-15(16)18/h3-9,11H,10H2,1-2H3,(H,20,21)
InChIKeySTIGVXGPLHHAGW-UHFFFAOYSA-N
XLogP4.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.78
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2-chloro-4-fluorophenyl)acetamide
CID 7643302
N-(4-bromo-2-chlorophenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 53267518
N-(2-chloro-4-fluorophenyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 26693197
N-(2-chloro-4-fluorophenyl)-2-(4-cyanophenoxy)acetamide
CID 7771641
ethyl 3-chloro-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 99949279
N-(4-amino-2,5-dichlorophenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 50881877
2-[4-[(2R)-butan-2-yl]phenoxy]-N-(2,4-dichlorophenyl)acetamide
CID 40666473
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 1184428
N-(2,3-dichlorophenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 1226590
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 40719319
N-(2-chloro-4-fluorophenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 51208532
methyl 2-[2-(2-chloro-4-fluoroanilino)-2-oxoethoxy]-4-methoxybenzoate
CID 7704925

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-2-(4-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-2-(4-propan-2-ylphenoxy)acetamide (CID 26216318) is N-(2-chloro-4-fluorophenyl)-2-(4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-2-(4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-2-(4-propan-2-ylphenoxy)acetamide is CC(C)c1ccc(OCC(=O)Nc2ccc(F)cc2Cl)cc1.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-2-(4-propan-2-ylphenoxy)acetamide?
The InChIKey is STIGVXGPLHHAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO2/c1-11(2)12-3-6-14(7-4-12)22-10-17(21)20-16-8-5-13(19)9-15(16)18/h3-9,11H,10H2,1-2H3,(H,20,21).
What are the key properties of N-(2-chloro-4-fluorophenyl)-2-(4-propan-2-ylphenoxy)acetamide?
N-(2-chloro-4-fluorophenyl)-2-(4-propan-2-ylphenoxy)acetamide has a molecular weight of 321.78 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-2-(4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 26216318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).