2-(3-fluoro-4-methylphenoxy)-N,N-dimethylacetamide

C11H14FNO2 — CID 107171377

IUPAC2-(3-fluoro-4-methylphenoxy)-N,N-dimethylacetamide
SMILESCc1ccc(OCC(=O)N(C)C)cc1F
InChIInChI=1S/C11H14FNO2/c1-8-4-5-9(6-10(8)12)15-7-11(14)13(2)3/h4-6H,7H2,1-3H3
InChIKeyNHHIHEKDNKIBDL-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.60
Rot. Bonds3

About 2-(3-fluoro-4-methylphenoxy)-N,N-dimethylacetamide

2-(3-fluoro-4-methylphenoxy)-N,N-dimethylacetamide (PubChem CID 107171377) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 2-(3-fluoro-4-methylphenoxy)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(3-fluoro-4-methylphenoxy)-N,N-dimethylacetamide
PubChem CID107171377
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name2-(3-fluoro-4-methylphenoxy)-N,N-dimethylacetamide
SMILESCc1ccc(OCC(=O)N(C)C)cc1F
InChIInChI=1S/C11H14FNO2/c1-8-4-5-9(6-10(8)12)15-7-11(14)13(2)3/h4-6H,7H2,1-3H3
InChIKeyNHHIHEKDNKIBDL-UHFFFAOYSA-N
XLogP1.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluoro-4-methylphenoxy)-N-methyl-N-propan-2-ylacetamide
CID 107171511
ethane;2-(3-fluoro-4-methylphenoxy)acetic acid
CID 155714293
2-[3-fluoro-4-(1-hydroxyethyl)phenoxy]-N,N-dimethylacetamide
CID 107719713
3-(3-fluoro-4-methylphenoxy)propanoic acid
CID 107168344
ethyl 2-[(3-fluoro-4-methylphenoxy)methyl]prop-2-enoate
CID 107168373
ethyl 5-(3-fluoro-4-methylphenoxy)-4-oxopentanoate
CID 107169765
2-[4-(but-3-enylamino)-3-fluorophenoxy]-N,N-dimethylacetamide
CID 84584622
2-[3-[[[N-[(3-fluoro-4-methylphenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]phenoxy]-N,N-dimethylacetamide;hydroiodide
CID 111847078
2-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]-N,N-dimethylacetamide
CID 107717208
2-fluoro-4-(2-methoxyethoxy)-1-methylbenzene
CID 21363868
1-(3-bromothiophen-2-yl)-2-(3-fluoro-4-methylphenoxy)ethanone
CID 107169832
2-(2-fluoro-5-methylphenoxy)-N,N-dimethylacetamide
CID 64853369

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methylphenoxy)-N,N-dimethylacetamide?
The IUPAC name of 2-(3-fluoro-4-methylphenoxy)-N,N-dimethylacetamide (CID 107171377) is 2-(3-fluoro-4-methylphenoxy)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(3-fluoro-4-methylphenoxy)-N,N-dimethylacetamide?
The canonical SMILES for 2-(3-fluoro-4-methylphenoxy)-N,N-dimethylacetamide is Cc1ccc(OCC(=O)N(C)C)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methylphenoxy)-N,N-dimethylacetamide?
The InChIKey is NHHIHEKDNKIBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-8-4-5-9(6-10(8)12)15-7-11(14)13(2)3/h4-6H,7H2,1-3H3.
What are the key properties of 2-(3-fluoro-4-methylphenoxy)-N,N-dimethylacetamide?
2-(3-fluoro-4-methylphenoxy)-N,N-dimethylacetamide has a molecular weight of 211.24 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methylphenoxy)-N,N-dimethylacetamide is sourced from PubChem (CID 107171377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).