2-(3-fluoro-4-methoxyphenyl)-N-(2-hydroxypropyl)-N-methylacetamide

C13H18FNO3 — CID 62334421

IUPAC2-(3-fluoro-4-methoxyphenyl)-N-(2-hydroxypropyl)-N-methylacetamide
SMILESCOc1ccc(CC(=O)N(C)CC(C)O)cc1F
InChIInChI=1S/C13H18FNO3/c1-9(16)8-15(2)13(17)7-10-4-5-12(18-3)11(14)6-10/h4-6,9,16H,7-8H2,1-3H3
InChIKeyRDGMSAHPCZGEDX-UHFFFAOYSA-N
MW255.29 g/mol
LogP1.22
Rot. Bonds5

About 2-(3-fluoro-4-methoxyphenyl)-N-(2-hydroxypropyl)-N-methylacetamide

2-(3-fluoro-4-methoxyphenyl)-N-(2-hydroxypropyl)-N-methylacetamide (PubChem CID 62334421) has the molecular formula C13H18FNO3 and a molecular weight of 255.29 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-N-(2-hydroxypropyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-N-(2-hydroxypropyl)-N-methylacetamide
PubChem CID62334421
Molecular FormulaC13H18FNO3
Molecular Weight255.29 g/mol
Exact Mass255.13
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-N-(2-hydroxypropyl)-N-methylacetamide
SMILESCOc1ccc(CC(=O)N(C)CC(C)O)cc1F
InChIInChI=1S/C13H18FNO3/c1-9(16)8-15(2)13(17)7-10-4-5-12(18-3)11(14)6-10/h4-6,9,16H,7-8H2,1-3H3
InChIKeyRDGMSAHPCZGEDX-UHFFFAOYSA-N
XLogP1.22
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluoro-4-methoxyphenyl)-N-(3-hydroxybutyl)-N-methylacetamide
CID 115691558
N-(3-amino-4-methylpentyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylacetamide
CID 119657407
1-(3-fluoro-4-methoxyphenyl)-3-hydroxybutan-2-one
CID 103451541
N-(2-hydroxypropyl)-2-(4-methoxyphenyl)-N-methylacetamide
CID 62333656
N-[(2-chlorophenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)-N-methylacetamide
CID 86907560
2-(4-acetamidophenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide
CID 17485829
2-(3-fluoro-4-methoxyphenyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
CID 61039056
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82128248
1-(3-fluoro-4-methoxyphenyl)-3-methoxypentan-2-one
CID 116707093
1-(3-fluoro-4-methoxyphenyl)-3-hydroxypropan-2-one
CID 82282114
3-ethoxy-1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-one
CID 116708613
5-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-methyl-5-oxopentanoic acid
CID 62964021

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-N-(2-hydroxypropyl)-N-methylacetamide?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-N-(2-hydroxypropyl)-N-methylacetamide (CID 62334421) is 2-(3-fluoro-4-methoxyphenyl)-N-(2-hydroxypropyl)-N-methylacetamide.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-N-(2-hydroxypropyl)-N-methylacetamide?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-N-(2-hydroxypropyl)-N-methylacetamide is COc1ccc(CC(=O)N(C)CC(C)O)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-N-(2-hydroxypropyl)-N-methylacetamide?
The InChIKey is RDGMSAHPCZGEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO3/c1-9(16)8-15(2)13(17)7-10-4-5-12(18-3)11(14)6-10/h4-6,9,16H,7-8H2,1-3H3.
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-N-(2-hydroxypropyl)-N-methylacetamide?
2-(3-fluoro-4-methoxyphenyl)-N-(2-hydroxypropyl)-N-methylacetamide has a molecular weight of 255.29 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)-N-(2-hydroxypropyl)-N-methylacetamide is sourced from PubChem (CID 62334421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).