N,N-diethyl-2-(5-fluoro-2-methylphenoxy)acetamide

C13H18FNO2 — CID 102975425

IUPACN,N-diethyl-2-(5-fluoro-2-methylphenoxy)acetamide
SMILESCCN(CC)C(=O)COc1cc(F)ccc1C
InChIInChI=1S/C13H18FNO2/c1-4-15(5-2)13(16)9-17-12-8-11(14)7-6-10(12)3/h6-8H,4-5,9H2,1-3H3
InChIKeyLWAJRXXXGOUKIO-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.38
Rot. Bonds5

About N,N-diethyl-2-(5-fluoro-2-methylphenoxy)acetamide

N,N-diethyl-2-(5-fluoro-2-methylphenoxy)acetamide (PubChem CID 102975425) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is N,N-diethyl-2-(5-fluoro-2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(5-fluoro-2-methylphenoxy)acetamide
PubChem CID102975425
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC NameN,N-diethyl-2-(5-fluoro-2-methylphenoxy)acetamide
SMILESCCN(CC)C(=O)COc1cc(F)ccc1C
InChIInChI=1S/C13H18FNO2/c1-4-15(5-2)13(16)9-17-12-8-11(14)7-6-10(12)3/h6-8H,4-5,9H2,1-3H3
InChIKeyLWAJRXXXGOUKIO-UHFFFAOYSA-N
XLogP2.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dimethylphenoxy)-N,N-diethylacetamide
CID 920931
N,N-diethyl-2-(2,4,5-trimethylphenoxy)acetamide
CID 112978059
N,N-diethyl-2-(2-fluorophenoxy)acetamide
CID 2178411
2-[2-(2-aminoethyl)-4-fluorophenoxy]-N,N-diethylacetamide
CID 107700208
2-(2-ethoxyphenoxy)-N,N-diethylacetamide
CID 60625239
methyl 2-[[2-(2,5-dimethylphenoxy)acetyl]-ethylamino]acetate
CID 61383302
1-(2,4-difluorophenyl)-2-(5-fluoro-2-methylphenoxy)ethanone
CID 102982740
3-[[2-(2,4-difluorophenoxy)acetyl]-ethylamino]propanoic acid
CID 61007298
N-(2-aminoethyl)-2-(5-fluoro-2-methylphenoxy)acetamide
CID 102980804
N,N-diethyl-2-[4-(4-fluorobenzoyl)phenoxy]acetamide
CID 78760744
N,N-diethyl-2-(2-methoxy-4-methylphenoxy)acetamide
CID 60626763
3-[2-[ethyl(methyl)amino]-2-oxoethoxy]-4-methylbenzoic acid
CID 61379950

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(5-fluoro-2-methylphenoxy)acetamide?
The IUPAC name of N,N-diethyl-2-(5-fluoro-2-methylphenoxy)acetamide (CID 102975425) is N,N-diethyl-2-(5-fluoro-2-methylphenoxy)acetamide.
What is the SMILES notation for N,N-diethyl-2-(5-fluoro-2-methylphenoxy)acetamide?
The canonical SMILES for N,N-diethyl-2-(5-fluoro-2-methylphenoxy)acetamide is CCN(CC)C(=O)COc1cc(F)ccc1C.
What is the InChIKey of N,N-diethyl-2-(5-fluoro-2-methylphenoxy)acetamide?
The InChIKey is LWAJRXXXGOUKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-4-15(5-2)13(16)9-17-12-8-11(14)7-6-10(12)3/h6-8H,4-5,9H2,1-3H3.
What are the key properties of N,N-diethyl-2-(5-fluoro-2-methylphenoxy)acetamide?
N,N-diethyl-2-(5-fluoro-2-methylphenoxy)acetamide has a molecular weight of 239.29 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(5-fluoro-2-methylphenoxy)acetamide is sourced from PubChem (CID 102975425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).