4-formylbenzamide

C8H7NO2 — CID 11744790

IUPAC4-formylbenzamide
SMILESNC(=O)c1ccc(C=O)cc1
InChIInChI=1S/C8H7NO2/c9-8(11)7-3-1-6(5-10)2-4-7/h1-5H,(H2,9,11)
InChIKeyQWDCXCRLPNMJIH-UHFFFAOYSA-N
MW149.15 g/mol
LogP0.60
Rot. Bonds2

About 4-formylbenzamide

4-formylbenzamide (PubChem CID 11744790) has the molecular formula C8H7NO2 and a molecular weight of 149.15 g/mol. Its IUPAC name is 4-formylbenzamide.

Molecular Properties

Compound Name4-formylbenzamide
PubChem CID11744790
Molecular FormulaC8H7NO2
Molecular Weight149.15 g/mol
Exact Mass149.05
IUPAC Name4-formylbenzamide
SMILESNC(=O)c1ccc(C=O)cc1
InChIInChI=1S/C8H7NO2/c9-8(11)7-3-1-6(5-10)2-4-7/h1-5H,(H2,9,11)
InChIKeyQWDCXCRLPNMJIH-UHFFFAOYSA-N
XLogP0.60
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-formylbenzamide?
The IUPAC name of 4-formylbenzamide (CID 11744790) is 4-formylbenzamide.
What is the SMILES notation for 4-formylbenzamide?
The canonical SMILES for 4-formylbenzamide is NC(=O)c1ccc(C=O)cc1.
What is the InChIKey of 4-formylbenzamide?
The InChIKey is QWDCXCRLPNMJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO2/c9-8(11)7-3-1-6(5-10)2-4-7/h1-5H,(H2,9,11).
What are the key properties of 4-formylbenzamide?
4-formylbenzamide has a molecular weight of 149.15 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-formylbenzamide is sourced from PubChem (CID 11744790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).