2-(3-fluoro-4-methylphenoxy)-N-methyl-N-propan-2-ylacetamide

C13H18FNO2 — CID 107171511

IUPAC2-(3-fluoro-4-methylphenoxy)-N-methyl-N-propan-2-ylacetamide
SMILESCc1ccc(OCC(=O)N(C)C(C)C)cc1F
InChIInChI=1S/C13H18FNO2/c1-9(2)15(4)13(16)8-17-11-6-5-10(3)12(14)7-11/h5-7,9H,8H2,1-4H3
InChIKeyTWOFLFVBCZHCQJ-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.38
Rot. Bonds4

About 2-(3-fluoro-4-methylphenoxy)-N-methyl-N-propan-2-ylacetamide

2-(3-fluoro-4-methylphenoxy)-N-methyl-N-propan-2-ylacetamide (PubChem CID 107171511) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 2-(3-fluoro-4-methylphenoxy)-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(3-fluoro-4-methylphenoxy)-N-methyl-N-propan-2-ylacetamide
PubChem CID107171511
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name2-(3-fluoro-4-methylphenoxy)-N-methyl-N-propan-2-ylacetamide
SMILESCc1ccc(OCC(=O)N(C)C(C)C)cc1F
InChIInChI=1S/C13H18FNO2/c1-9(2)15(4)13(16)8-17-11-6-5-10(3)12(14)7-11/h5-7,9H,8H2,1-4H3
InChIKeyTWOFLFVBCZHCQJ-UHFFFAOYSA-N
XLogP2.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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-(3-fluoro-4-methylphenoxy)-N,N-dimethylacetamide
CID 107171377
ethane;2-(3-fluoro-4-methylphenoxy)acetic acid
CID 155714293
2-(3-amino-4-methoxyphenoxy)-N-methyl-N-propan-2-ylacetamide
CID 103201185
3-(3-fluoro-4-methylphenoxy)propanoic acid
CID 107168344
ethyl 2-[(3-fluoro-4-methylphenoxy)methyl]prop-2-enoate
CID 107168373
2-[3-fluoro-4-(1-hydroxyethyl)phenoxy]-N,N-dimethylacetamide
CID 107719713
2-(4-amino-2-fluorophenoxy)-N-methyl-N-propan-2-ylacetamide
CID 43259288
ethyl 5-(3-fluoro-4-methylphenoxy)-4-oxopentanoate
CID 107169765
5-[2-[methyl(propan-2-yl)amino]-2-oxoethoxy]-2-nitrobenzoic acid
CID 102739673
N-methyl-N-propan-2-yl-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 78843878
2-fluoro-4-(2-methoxyethoxy)-1-methylbenzene
CID 21363868
2-(2-formyl-5-propoxyphenoxy)-N-methyl-N-propan-2-ylacetamide
CID 43388394

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methylphenoxy)-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-(3-fluoro-4-methylphenoxy)-N-methyl-N-propan-2-ylacetamide (CID 107171511) is 2-(3-fluoro-4-methylphenoxy)-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(3-fluoro-4-methylphenoxy)-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-(3-fluoro-4-methylphenoxy)-N-methyl-N-propan-2-ylacetamide is Cc1ccc(OCC(=O)N(C)C(C)C)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methylphenoxy)-N-methyl-N-propan-2-ylacetamide?
The InChIKey is TWOFLFVBCZHCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-9(2)15(4)13(16)8-17-11-6-5-10(3)12(14)7-11/h5-7,9H,8H2,1-4H3.
What are the key properties of 2-(3-fluoro-4-methylphenoxy)-N-methyl-N-propan-2-ylacetamide?
2-(3-fluoro-4-methylphenoxy)-N-methyl-N-propan-2-ylacetamide has a molecular weight of 239.29 g/mol, XLogP of 2.38, 4 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-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 107171511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).