N-(4-formyl-2-hydroxyphenyl)acetamide

C9H9NO3 — CID 84767760

IUPACN-(4-formyl-2-hydroxyphenyl)acetamide
SMILESCC(=O)Nc1ccc(C=O)cc1O
InChIInChI=1S/C9H9NO3/c1-6(12)10-8-3-2-7(5-11)4-9(8)13/h2-5,13H,1H3,(H,10,12)
InChIKeyINNAOOCJQNSLJE-UHFFFAOYSA-N
MW179.17 g/mol
LogP1.16
Rot. Bonds2

About N-(4-formyl-2-hydroxyphenyl)acetamide

N-(4-formyl-2-hydroxyphenyl)acetamide (PubChem CID 84767760) has the molecular formula C9H9NO3 and a molecular weight of 179.17 g/mol. Its IUPAC name is N-(4-formyl-2-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-(4-formyl-2-hydroxyphenyl)acetamide
PubChem CID84767760
Molecular FormulaC9H9NO3
Molecular Weight179.17 g/mol
Exact Mass179.06
IUPAC NameN-(4-formyl-2-hydroxyphenyl)acetamide
SMILESCC(=O)Nc1ccc(C=O)cc1O
InChIInChI=1S/C9H9NO3/c1-6(12)10-8-3-2-7(5-11)4-9(8)13/h2-5,13H,1H3,(H,10,12)
InChIKeyINNAOOCJQNSLJE-UHFFFAOYSA-N
XLogP1.16
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 51.16
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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Related Compounds

N-[4-(4-acetamido-3-hydroxyphenyl)phenyl]acetamide
CID 54399317
N-[2-(cyclopropylmethoxy)-4-formylphenyl]acetamide
CID 84795927
N-(3-chloro-5-formyl-2-hydroxyphenyl)acetamide
CID 23520857
N-(4-fluoro-2-formylphenyl)acetamide
CID 84768300
3-hydroxy-4-methoxybenzaldehyde
CID 87256894
4-(dimethylamino)-3-hydroxybenzaldehyde
CID 21478067
formaldehyde;N-[4-formyl-2-(3,4,5-trimethoxybenzoyl)phenyl]acetamide
CID 87613103
N-(4-acetamido-2-hydroxyphenyl)-3,4-dimethyl-2-propan-2-ylidenepent-3-enamide
CID 54698690
tert-butyl N-[4-formyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 22563949
N-[2-hydroxy-4-(2-methylprop-2-enylamino)phenyl]acetamide
CID 18982737
(4-acetamido-3-hydroxyphenyl) 2-methylprop-2-enoate
CID 174819780
N-(3-acetamido-2-formylphenyl)acetamide
CID 54088843

Frequently Asked Questions

What is the IUPAC name of N-(4-formyl-2-hydroxyphenyl)acetamide?
The IUPAC name of N-(4-formyl-2-hydroxyphenyl)acetamide (CID 84767760) is N-(4-formyl-2-hydroxyphenyl)acetamide.
What is the SMILES notation for N-(4-formyl-2-hydroxyphenyl)acetamide?
The canonical SMILES for N-(4-formyl-2-hydroxyphenyl)acetamide is CC(=O)Nc1ccc(C=O)cc1O.
What is the InChIKey of N-(4-formyl-2-hydroxyphenyl)acetamide?
The InChIKey is INNAOOCJQNSLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3/c1-6(12)10-8-3-2-7(5-11)4-9(8)13/h2-5,13H,1H3,(H,10,12).
What are the key properties of N-(4-formyl-2-hydroxyphenyl)acetamide?
N-(4-formyl-2-hydroxyphenyl)acetamide has a molecular weight of 179.17 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-formyl-2-hydroxyphenyl)acetamide is sourced from PubChem (CID 84767760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).