N-(3-chloro-5-formyl-2-hydroxyphenyl)acetamide

C9H8ClNO3 — CID 23520857

IUPACN-(3-chloro-5-formyl-2-hydroxyphenyl)acetamide
SMILESCC(=O)Nc1cc(C=O)cc(Cl)c1O
InChIInChI=1S/C9H8ClNO3/c1-5(13)11-8-3-6(4-12)2-7(10)9(8)14/h2-4,14H,1H3,(H,11,13)
InChIKeyVTMKYGDTIADJLX-UHFFFAOYSA-N
MW213.62 g/mol
LogP1.82
Rot. Bonds2

About N-(3-chloro-5-formyl-2-hydroxyphenyl)acetamide

N-(3-chloro-5-formyl-2-hydroxyphenyl)acetamide (PubChem CID 23520857) has the molecular formula C9H8ClNO3 and a molecular weight of 213.62 g/mol. Its IUPAC name is N-(3-chloro-5-formyl-2-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-5-formyl-2-hydroxyphenyl)acetamide
PubChem CID23520857
Molecular FormulaC9H8ClNO3
Molecular Weight213.62 g/mol
Exact Mass213.02
IUPAC NameN-(3-chloro-5-formyl-2-hydroxyphenyl)acetamide
SMILESCC(=O)Nc1cc(C=O)cc(Cl)c1O
InChIInChI=1S/C9H8ClNO3/c1-5(13)11-8-3-6(4-12)2-7(10)9(8)14/h2-4,14H,1H3,(H,11,13)
InChIKeyVTMKYGDTIADJLX-UHFFFAOYSA-N
XLogP1.82
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.62
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-5-formyl-2-hydroxyphenyl)acetamide?
The IUPAC name of N-(3-chloro-5-formyl-2-hydroxyphenyl)acetamide (CID 23520857) is N-(3-chloro-5-formyl-2-hydroxyphenyl)acetamide.
What is the SMILES notation for N-(3-chloro-5-formyl-2-hydroxyphenyl)acetamide?
The canonical SMILES for N-(3-chloro-5-formyl-2-hydroxyphenyl)acetamide is CC(=O)Nc1cc(C=O)cc(Cl)c1O.
What is the InChIKey of N-(3-chloro-5-formyl-2-hydroxyphenyl)acetamide?
The InChIKey is VTMKYGDTIADJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO3/c1-5(13)11-8-3-6(4-12)2-7(10)9(8)14/h2-4,14H,1H3,(H,11,13).
What are the key properties of N-(3-chloro-5-formyl-2-hydroxyphenyl)acetamide?
N-(3-chloro-5-formyl-2-hydroxyphenyl)acetamide has a molecular weight of 213.62 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-5-formyl-2-hydroxyphenyl)acetamide is sourced from PubChem (CID 23520857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).