2-(2-chloro-6-formylphenoxy)-N-(3-methoxypropyl)acetamide

C13H16ClNO4 — CID 112611471

IUPAC2-(2-chloro-6-formylphenoxy)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)COc1c(Cl)cccc1C=O
InChIInChI=1S/C13H16ClNO4/c1-18-7-3-6-15-12(17)9-19-13-10(8-16)4-2-5-11(13)14/h2,4-5,8H,3,6-7,9H2,1H3,(H,15,17)
InChIKeyBVTFDQASZAKRFA-UHFFFAOYSA-N
MW285.73 g/mol
LogP1.68
Rot. Bonds8

About 2-(2-chloro-6-formylphenoxy)-N-(3-methoxypropyl)acetamide

2-(2-chloro-6-formylphenoxy)-N-(3-methoxypropyl)acetamide (PubChem CID 112611471) has the molecular formula C13H16ClNO4 and a molecular weight of 285.73 g/mol. Its IUPAC name is 2-(2-chloro-6-formylphenoxy)-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-formylphenoxy)-N-(3-methoxypropyl)acetamide
PubChem CID112611471
Molecular FormulaC13H16ClNO4
Molecular Weight285.73 g/mol
Exact Mass285.08
IUPAC Name2-(2-chloro-6-formylphenoxy)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)COc1c(Cl)cccc1C=O
InChIInChI=1S/C13H16ClNO4/c1-18-7-3-6-15-12(17)9-19-13-10(8-16)4-2-5-11(13)14/h2,4-5,8H,3,6-7,9H2,1H3,(H,15,17)
InChIKeyBVTFDQASZAKRFA-UHFFFAOYSA-N
XLogP1.68
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-(3-methoxypropyl)acetamide
CID 112612673
4-(2-chloro-6-formylphenoxy)-N-methylbutanamide
CID 112611484
2-(2-chloro-6-formylphenoxy)acetic acid
CID 91570731
2-(2-chloro-6-formylphenoxy)acetamide
CID 112611424
3-(2-chloro-6-formylphenoxy)-N-methylpropanamide
CID 112611514
2-(2-formyl-6-methylphenoxy)-N-(3-methoxypropyl)propanamide
CID 115955495
2-(2,3-dimethoxyphenoxy)-N-(3-methoxypropyl)acetamide
CID 112978341
N-(4-bromophenyl)-2-(2-chloro-6-formylphenoxy)acetamide
CID 115955676
2-[2-(3-methoxypropylamino)-2-oxoethoxy]-3-methylbenzoic acid
CID 60910671
2-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-ethylacetamide
CID 115954882
N'-(2,6-dichlorophenyl)-N-(3-methoxypropyl)propanediamide
CID 108943408
2-(2-chloro-6-formylphenoxy)-N-(2-fluorophenyl)acetamide
CID 115955695

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-formylphenoxy)-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-(2-chloro-6-formylphenoxy)-N-(3-methoxypropyl)acetamide (CID 112611471) is 2-(2-chloro-6-formylphenoxy)-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-(2-chloro-6-formylphenoxy)-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-(2-chloro-6-formylphenoxy)-N-(3-methoxypropyl)acetamide is COCCCNC(=O)COc1c(Cl)cccc1C=O.
What is the InChIKey of 2-(2-chloro-6-formylphenoxy)-N-(3-methoxypropyl)acetamide?
The InChIKey is BVTFDQASZAKRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO4/c1-18-7-3-6-15-12(17)9-19-13-10(8-16)4-2-5-11(13)14/h2,4-5,8H,3,6-7,9H2,1H3,(H,15,17).
What are the key properties of 2-(2-chloro-6-formylphenoxy)-N-(3-methoxypropyl)acetamide?
2-(2-chloro-6-formylphenoxy)-N-(3-methoxypropyl)acetamide has a molecular weight of 285.73 g/mol, XLogP of 1.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-formylphenoxy)-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 112611471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).