4-aminobenzamide;methanol

C8H12N2O2 — CID 144801245

IUPAC4-aminobenzamide;methanol
SMILESCO.NC(=O)c1ccc(N)cc1
InChIInChI=1S/C7H8N2O.CH4O/c8-6-3-1-5(2-4-6)7(9)10;1-2/h1-4H,8H2,(H2,9,10);2H,1H3
InChIKeyDRNYTBMOVUXARW-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.02
Rot. Bonds1

About 4-aminobenzamide;methanol

4-aminobenzamide;methanol (PubChem CID 144801245) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 4-aminobenzamide;methanol.

Molecular Properties

Compound Name4-aminobenzamide;methanol
PubChem CID144801245
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name4-aminobenzamide;methanol
SMILESCO.NC(=O)c1ccc(N)cc1
InChIInChI=1S/C7H8N2O.CH4O/c8-6-3-1-5(2-4-6)7(9)10;1-2/h1-4H,8H2,(H2,9,10);2H,1H3
InChIKeyDRNYTBMOVUXARW-UHFFFAOYSA-N
XLogP-0.02
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-aminobenzamide;methanol?
The IUPAC name of 4-aminobenzamide;methanol (CID 144801245) is 4-aminobenzamide;methanol.
What is the SMILES notation for 4-aminobenzamide;methanol?
The canonical SMILES for 4-aminobenzamide;methanol is CO.NC(=O)c1ccc(N)cc1.
What is the InChIKey of 4-aminobenzamide;methanol?
The InChIKey is DRNYTBMOVUXARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O.CH4O/c8-6-3-1-5(2-4-6)7(9)10;1-2/h1-4H,8H2,(H2,9,10);2H,1H3.
What are the key properties of 4-aminobenzamide;methanol?
4-aminobenzamide;methanol has a molecular weight of 168.20 g/mol, XLogP of -0.02, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminobenzamide;methanol is sourced from PubChem (CID 144801245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).