2-(2,4-difluoro-5-methylphenoxy)-N-propylacetamide

C12H15F2NO2 — CID 142440430

IUPAC2-(2,4-difluoro-5-methylphenoxy)-N-propylacetamide
SMILESCCCNC(=O)COc1cc(C)c(F)cc1F
InChIInChI=1S/C12H15F2NO2/c1-3-4-15-12(16)7-17-11-5-8(2)9(13)6-10(11)14/h5-6H,3-4,7H2,1-2H3,(H,15,16)
InChIKeyDOADHZYECLSIBA-UHFFFAOYSA-N
MW243.25 g/mol
LogP2.18
Rot. Bonds5

About 2-(2,4-difluoro-5-methylphenoxy)-N-propylacetamide

2-(2,4-difluoro-5-methylphenoxy)-N-propylacetamide (PubChem CID 142440430) has the molecular formula C12H15F2NO2 and a molecular weight of 243.25 g/mol. Its IUPAC name is 2-(2,4-difluoro-5-methylphenoxy)-N-propylacetamide.

Molecular Properties

Compound Name2-(2,4-difluoro-5-methylphenoxy)-N-propylacetamide
PubChem CID142440430
Molecular FormulaC12H15F2NO2
Molecular Weight243.25 g/mol
Exact Mass243.11
IUPAC Name2-(2,4-difluoro-5-methylphenoxy)-N-propylacetamide
SMILESCCCNC(=O)COc1cc(C)c(F)cc1F
InChIInChI=1S/C12H15F2NO2/c1-3-4-15-12(16)7-17-11-5-8(2)9(13)6-10(11)14/h5-6H,3-4,7H2,1-2H3,(H,15,16)
InChIKeyDOADHZYECLSIBA-UHFFFAOYSA-N
XLogP2.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-amino-2,4-dimethylphenoxy)-N-propylacetamide
CID 114088084
2-(2-chloro-4-fluorophenoxy)-N-propylacetamide
CID 60624592
2-[2-fluoro-4-[(propan-2-ylamino)methyl]phenoxy]-N-propylacetamide
CID 107687590
2-(2-acetyl-4-fluorophenoxy)-N-propylacetamide
CID 71628000
N-(2-aminoethyl)-2-(5-fluoro-2-methylphenoxy)acetamide
CID 102980804
N-[(3-fluoro-4-methylphenyl)methyl]-2-(2-propoxyphenoxy)acetamide
CID 24553271
2-(4-bromo-2-fluorophenoxy)-N-(propylcarbamoyl)acetamide
CID 2522978
2-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]-N-propylacetamide
CID 63640126
2-[2-(aminomethyl)-4-methylphenoxy]-N-propylacetamide
CID 63322563
2-(4-bromo-2,5-dimethylphenoxy)-N-heptylacetamide
CID 3901238
N-butyl-2-(2,4-dimethylphenoxy)acetamide
CID 17142931
N-[(3-fluoro-4-methylphenyl)methyl]-2-(2-fluorophenoxy)acetamide
CID 34315448

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluoro-5-methylphenoxy)-N-propylacetamide?
The IUPAC name of 2-(2,4-difluoro-5-methylphenoxy)-N-propylacetamide (CID 142440430) is 2-(2,4-difluoro-5-methylphenoxy)-N-propylacetamide.
What is the SMILES notation for 2-(2,4-difluoro-5-methylphenoxy)-N-propylacetamide?
The canonical SMILES for 2-(2,4-difluoro-5-methylphenoxy)-N-propylacetamide is CCCNC(=O)COc1cc(C)c(F)cc1F.
What is the InChIKey of 2-(2,4-difluoro-5-methylphenoxy)-N-propylacetamide?
The InChIKey is DOADHZYECLSIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO2/c1-3-4-15-12(16)7-17-11-5-8(2)9(13)6-10(11)14/h5-6H,3-4,7H2,1-2H3,(H,15,16).
What are the key properties of 2-(2,4-difluoro-5-methylphenoxy)-N-propylacetamide?
2-(2,4-difluoro-5-methylphenoxy)-N-propylacetamide has a molecular weight of 243.25 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluoro-5-methylphenoxy)-N-propylacetamide is sourced from PubChem (CID 142440430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).