2-(2-chloro-6-formylphenoxy)acetamide

C9H8ClNO3 — CID 112611424

IUPAC2-(2-chloro-6-formylphenoxy)acetamide
SMILESNC(=O)COc1c(Cl)cccc1C=O
InChIInChI=1S/C9H8ClNO3/c10-7-3-1-2-6(4-12)9(7)14-5-8(11)13/h1-4H,5H2,(H2,11,13)
InChIKeyALCJUGRAONGTTA-UHFFFAOYSA-N
MW213.62 g/mol
LogP1.02
Rot. Bonds4

About 2-(2-chloro-6-formylphenoxy)acetamide

2-(2-chloro-6-formylphenoxy)acetamide (PubChem CID 112611424) has the molecular formula C9H8ClNO3 and a molecular weight of 213.62 g/mol. Its IUPAC name is 2-(2-chloro-6-formylphenoxy)acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-formylphenoxy)acetamide
PubChem CID112611424
Molecular FormulaC9H8ClNO3
Molecular Weight213.62 g/mol
Exact Mass213.02
IUPAC Name2-(2-chloro-6-formylphenoxy)acetamide
SMILESNC(=O)COc1c(Cl)cccc1C=O
InChIInChI=1S/C9H8ClNO3/c10-7-3-1-2-6(4-12)9(7)14-5-8(11)13/h1-4H,5H2,(H2,11,13)
InChIKeyALCJUGRAONGTTA-UHFFFAOYSA-N
XLogP1.02
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.62
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloro-6-formylphenoxy)acetic acid
CID 91570731
N-(4-bromophenyl)-2-(2-chloro-6-formylphenoxy)acetamide
CID 115955676
3-chloro-2-(3-methylbut-2-enoxy)benzaldehyde
CID 112611214
2-(2-chloro-6-formylphenoxy)-N-(2-fluorophenyl)acetamide
CID 115955695
3-chloro-2-[(2-chlorophenyl)methoxy]benzaldehyde
CID 112611328
2-(2-chloro-6-formylphenoxy)-N-(3-methoxypropyl)acetamide
CID 112611471
4-(2-chloro-6-formylphenoxy)-N-methylbutanamide
CID 112611484
3-(2-chloro-6-formylphenoxy)-N-methylpropanamide
CID 112611514
3-chloro-2-(2-ethylbutoxy)benzaldehyde
CID 112611417
3-chloro-2-[(1-hydroxycyclohexyl)methoxy]benzaldehyde
CID 112611355
2-[2-chloro-6-[(2-methylpropylamino)methyl]phenoxy]acetamide
CID 112610532
3-chloro-2-(3-ethoxypropoxy)benzaldehyde
CID 112611490

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-formylphenoxy)acetamide?
The IUPAC name of 2-(2-chloro-6-formylphenoxy)acetamide (CID 112611424) is 2-(2-chloro-6-formylphenoxy)acetamide.
What is the SMILES notation for 2-(2-chloro-6-formylphenoxy)acetamide?
The canonical SMILES for 2-(2-chloro-6-formylphenoxy)acetamide is NC(=O)COc1c(Cl)cccc1C=O.
What is the InChIKey of 2-(2-chloro-6-formylphenoxy)acetamide?
The InChIKey is ALCJUGRAONGTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO3/c10-7-3-1-2-6(4-12)9(7)14-5-8(11)13/h1-4H,5H2,(H2,11,13).
What are the key properties of 2-(2-chloro-6-formylphenoxy)acetamide?
2-(2-chloro-6-formylphenoxy)acetamide has a molecular weight of 213.62 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-formylphenoxy)acetamide is sourced from PubChem (CID 112611424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).