2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-(3-methoxypropyl)acetamide

C13H18ClNO4 — CID 112612673

IUPAC2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)COc1c(Cl)cccc1CO
InChIInChI=1S/C13H18ClNO4/c1-18-7-3-6-15-12(17)9-19-13-10(8-16)4-2-5-11(13)14/h2,4-5,16H,3,6-9H2,1H3,(H,15,17)
InChIKeyRFUICEOBWRHUIM-UHFFFAOYSA-N
MW287.74 g/mol
LogP1.36
Rot. Bonds8

About 2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-(3-methoxypropyl)acetamide

2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-(3-methoxypropyl)acetamide (PubChem CID 112612673) has the molecular formula C13H18ClNO4 and a molecular weight of 287.74 g/mol. Its IUPAC name is 2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-(3-methoxypropyl)acetamide
PubChem CID112612673
Molecular FormulaC13H18ClNO4
Molecular Weight287.74 g/mol
Exact Mass287.09
IUPAC Name2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)COc1c(Cl)cccc1CO
InChIInChI=1S/C13H18ClNO4/c1-18-7-3-6-15-12(17)9-19-13-10(8-16)4-2-5-11(13)14/h2,4-5,16H,3,6-9H2,1H3,(H,15,17)
InChIKeyRFUICEOBWRHUIM-UHFFFAOYSA-N
XLogP1.36
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.74
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloro-6-formylphenoxy)-N-(3-methoxypropyl)acetamide
CID 112611471
2-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-ethylacetamide
CID 115954882
2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 112612569
2-(2,3-dimethoxyphenoxy)-N-(3-methoxypropyl)acetamide
CID 112978341
2-[2-(3-methoxypropylamino)-2-oxoethoxy]-3-methylbenzoic acid
CID 60910671
N'-(2,6-dichlorophenyl)-N-(3-methoxypropyl)propanediamide
CID 108943408
4-(2-chlorophenyl)-N-(4-methoxybutyl)butanamide
CID 110610239
2-(2-amino-6-chlorophenoxy)-N-(3-methoxypropyl)propanamide
CID 107715953
[2-(3-methoxypropylamino)-2-oxoethyl] 2-amino-6-chlorobenzoate
CID 63662025
2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-(3-methoxypropyl)acetamide
CID 107698563
2-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-propan-2-ylacetamide
CID 115954939
2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-ethylacetamide
CID 112615081

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-(3-methoxypropyl)acetamide (CID 112612673) is 2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)COc1c(Cl)cccc1CO.
What is the InChIKey of 2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-(3-methoxypropyl)acetamide?
The InChIKey is RFUICEOBWRHUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO4/c1-18-7-3-6-15-12(17)9-19-13-10(8-16)4-2-5-11(13)14/h2,4-5,16H,3,6-9H2,1H3,(H,15,17).
What are the key properties of 2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-(3-methoxypropyl)acetamide?
2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-(3-methoxypropyl)acetamide has a molecular weight of 287.74 g/mol, XLogP of 1.36, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 112612673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).