acetamide;benzene;formic acid

C9H13NO3 — CID 174948168

IUPACacetamide;benzene;formic acid
SMILESCC(N)=O.O=CO.c1ccccc1
InChIInChI=1S/C6H6.C2H5NO.CH2O2/c1-2-4-6-5-3-1;1-2(3)4;2-1-3/h1-6H;1H3,(H2,3,4);1H,(H,2,3)
InChIKeyNAHDSYGJOZFNCC-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.88
Rot. Bonds

About acetamide;benzene;formic acid

acetamide;benzene;formic acid (PubChem CID 174948168) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is acetamide;benzene;formic acid.

Molecular Properties

Compound Nameacetamide;benzene;formic acid
PubChem CID174948168
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Nameacetamide;benzene;formic acid
SMILESCC(N)=O.O=CO.c1ccccc1
InChIInChI=1S/C6H6.C2H5NO.CH2O2/c1-2-4-6-5-3-1;1-2(3)4;2-1-3/h1-6H;1H3,(H2,3,4);1H,(H,2,3)
InChIKeyNAHDSYGJOZFNCC-UHFFFAOYSA-N
XLogP0.88
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of acetamide;benzene;formic acid?
The IUPAC name of acetamide;benzene;formic acid (CID 174948168) is acetamide;benzene;formic acid.
What is the SMILES notation for acetamide;benzene;formic acid?
The canonical SMILES for acetamide;benzene;formic acid is CC(N)=O.O=CO.c1ccccc1.
What is the InChIKey of acetamide;benzene;formic acid?
The InChIKey is NAHDSYGJOZFNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C2H5NO.CH2O2/c1-2-4-6-5-3-1;1-2(3)4;2-1-3/h1-6H;1H3,(H2,3,4);1H,(H,2,3).
What are the key properties of acetamide;benzene;formic acid?
acetamide;benzene;formic acid has a molecular weight of 183.21 g/mol, XLogP of 0.88, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;benzene;formic acid is sourced from PubChem (CID 174948168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).