N-(3-acetamido-2-formylphenyl)acetamide

C11H12N2O3 — CID 54088843

IUPACN-(3-acetamido-2-formylphenyl)acetamide
SMILESCC(=O)Nc1cccc(NC(C)=O)c1C=O
InChIInChI=1S/C11H12N2O3/c1-7(15)12-10-4-3-5-11(9(10)6-14)13-8(2)16/h3-6H,1-2H3,(H,12,15)(H,13,16)
InChIKeyORKDSJPILRXFIH-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.42
Rot. Bonds3

About N-(3-acetamido-2-formylphenyl)acetamide

N-(3-acetamido-2-formylphenyl)acetamide (PubChem CID 54088843) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is N-(3-acetamido-2-formylphenyl)acetamide.

Molecular Properties

Compound NameN-(3-acetamido-2-formylphenyl)acetamide
PubChem CID54088843
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC NameN-(3-acetamido-2-formylphenyl)acetamide
SMILESCC(=O)Nc1cccc(NC(C)=O)c1C=O
InChIInChI=1S/C11H12N2O3/c1-7(15)12-10-4-3-5-11(9(10)6-14)13-8(2)16/h3-6H,1-2H3,(H,12,15)(H,13,16)
InChIKeyORKDSJPILRXFIH-UHFFFAOYSA-N
XLogP1.42
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-(2-formylphenyl)acetamide
CID 142055624
N-[2,3-bis(ethenyl)phenyl]acetamide;formic acid
CID 145399422
(2-formyl-3-hydroxyphenyl)carbamic acid
CID 90457629
(3-acetamido-2-formylphenyl) 5-(3-acetamido-2-formylphenoxy)pentanoate
CID 88691780
N-[2-[formyl(methyl)amino]phenyl]acetamide
CID 130011413
N-(2-formyl-3-pyridinyl)acetamide
CID 54486982
N-(3-chloro-2-formylphenyl)propanamide
CID 159798849
N-[2-(2-acetamido-6-methylphenyl)-3-methylphenyl]acetamide
CID 22971546
N-(4-bromo-2-fluoro-3-formylphenyl)acetamide
CID 88931176
N-[2-(methylamino)phenyl]acetamide
CID 22950987
N-[2-[(E)-3-oxobut-1-enyl]phenyl]acetamide
CID 10878239
N-(3-formyl-4-methyl-2-nitrosophenyl)acetamide
CID 88893373

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-2-formylphenyl)acetamide?
The IUPAC name of N-(3-acetamido-2-formylphenyl)acetamide (CID 54088843) is N-(3-acetamido-2-formylphenyl)acetamide.
What is the SMILES notation for N-(3-acetamido-2-formylphenyl)acetamide?
The canonical SMILES for N-(3-acetamido-2-formylphenyl)acetamide is CC(=O)Nc1cccc(NC(C)=O)c1C=O.
What is the InChIKey of N-(3-acetamido-2-formylphenyl)acetamide?
The InChIKey is ORKDSJPILRXFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-7(15)12-10-4-3-5-11(9(10)6-14)13-8(2)16/h3-6H,1-2H3,(H,12,15)(H,13,16).
What are the key properties of N-(3-acetamido-2-formylphenyl)acetamide?
N-(3-acetamido-2-formylphenyl)acetamide has a molecular weight of 220.23 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-2-formylphenyl)acetamide is sourced from PubChem (CID 54088843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).