N-(3-chloro-4-fluorophenyl)-2-(2,4-dimethylphenoxy)acetamide

C16H15ClFNO2 — CID 800993

IUPACN-(3-chloro-4-fluorophenyl)-2-(2,4-dimethylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(F)c(Cl)c2)c(C)c1
InChIInChI=1S/C16H15ClFNO2/c1-10-3-6-15(11(2)7-10)21-9-16(20)19-12-4-5-14(18)13(17)8-12/h3-8H,9H2,1-2H3,(H,19,20)
InChIKeyWGECAKJNTJLNRI-UHFFFAOYSA-N
MW307.75 g/mol
LogP4.11
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-2-(2,4-dimethylphenoxy)acetamide

N-(3-chloro-4-fluorophenyl)-2-(2,4-dimethylphenoxy)acetamide (PubChem CID 800993) has the molecular formula C16H15ClFNO2 and a molecular weight of 307.75 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-(2,4-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-(2,4-dimethylphenoxy)acetamide
PubChem CID800993
Molecular FormulaC16H15ClFNO2
Molecular Weight307.75 g/mol
Exact Mass307.08
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-(2,4-dimethylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(F)c(Cl)c2)c(C)c1
InChIInChI=1S/C16H15ClFNO2/c1-10-3-6-15(11(2)7-10)21-9-16(20)19-12-4-5-14(18)13(17)8-12/h3-8H,9H2,1-2H3,(H,19,20)
InChIKeyWGECAKJNTJLNRI-UHFFFAOYSA-N
XLogP4.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.75
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-4-fluorophenyl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 29036010
2-(4-chloro-2-methylphenoxy)-N-(2-chloro-4-methylphenyl)acetamide
CID 7926730
2-chloro-4-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]benzamide
CID 55611309
N-(3-chloro-4-fluorophenyl)-2-(2-ethoxyphenoxy)acetamide
CID 2578584
N-(3-amino-4-methylphenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 43376403
N-(4-aminophenyl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 16789348
2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(4-fluorophenyl)acetamide
CID 8709029
methyl 2-[4-[2-(3-chloro-4-fluoroanilino)-2-oxoethoxy]-3-fluorophenyl]acetate
CID 75452408
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 8021076
2-(2-chloro-5-methylphenoxy)-N-(3,4-dimethylphenyl)acetamide
CID 7642767
2-(2-chloro-4-fluorophenoxy)-N-(4-methylphenyl)acetamide
CID 9402450
N-(3-chloro-4-fluorophenyl)-2-(5-chloroquinolin-8-yl)oxyacetamide
CID 8716349

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(2,4-dimethylphenoxy)acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(2,4-dimethylphenoxy)acetamide (CID 800993) is N-(3-chloro-4-fluorophenyl)-2-(2,4-dimethylphenoxy)acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-(2,4-dimethylphenoxy)acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-(2,4-dimethylphenoxy)acetamide is Cc1ccc(OCC(=O)Nc2ccc(F)c(Cl)c2)c(C)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-(2,4-dimethylphenoxy)acetamide?
The InChIKey is WGECAKJNTJLNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO2/c1-10-3-6-15(11(2)7-10)21-9-16(20)19-12-4-5-14(18)13(17)8-12/h3-8H,9H2,1-2H3,(H,19,20).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-(2,4-dimethylphenoxy)acetamide?
N-(3-chloro-4-fluorophenyl)-2-(2,4-dimethylphenoxy)acetamide has a molecular weight of 307.75 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-(2,4-dimethylphenoxy)acetamide is sourced from PubChem (CID 800993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).