benzoic acid;formamide

C8H9NO3 — CID 23295678

IUPACbenzoic acid;formamide
SMILESNC=O.O=C(O)c1ccccc1
InChIInChI=1S/C7H6O2.CH3NO/c8-7(9)6-4-2-1-3-5-6;2-1-3/h1-5H,(H,8,9);1H,(H2,2,3)
InChIKeyTTWKZIPPLKQMJA-UHFFFAOYSA-N
MW167.16 g/mol
LogP0.49
Rot. Bonds1

About benzoic acid;formamide

benzoic acid;formamide (PubChem CID 23295678) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is benzoic acid;formamide.

Molecular Properties

Compound Namebenzoic acid;formamide
PubChem CID23295678
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Namebenzoic acid;formamide
SMILESNC=O.O=C(O)c1ccccc1
InChIInChI=1S/C7H6O2.CH3NO/c8-7(9)6-4-2-1-3-5-6;2-1-3/h1-5H,(H,8,9);1H,(H2,2,3)
InChIKeyTTWKZIPPLKQMJA-UHFFFAOYSA-N
XLogP0.49
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze benzoic acid;formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzoic acid;formic acid
CID 175360098
benzoic acid;formic acid
CID 141027688
benzene;benzoic acid;formic acid;hydrate
CID 141387822
acetaldehyde;benzoic acid
CID 142179743
benzoic acid;methanamine
CID 158244769
benzoic acid;trihydrate
CID 157398339
benzoic acid;chromium
CID 139063467
benzoic acid;zirconium
CID 173089080
CID 87090637
CID 87090637
CID 87293530
CID 87293530
cyclodecapentaenecarboxylic acid;methane
CID 162272407
benzoic acid;λ2-plumbane
CID 174927932

Frequently Asked Questions

What is the IUPAC name of benzoic acid;formamide?
The IUPAC name of benzoic acid;formamide (CID 23295678) is benzoic acid;formamide.
What is the SMILES notation for benzoic acid;formamide?
The canonical SMILES for benzoic acid;formamide is NC=O.O=C(O)c1ccccc1.
What is the InChIKey of benzoic acid;formamide?
The InChIKey is TTWKZIPPLKQMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O2.CH3NO/c8-7(9)6-4-2-1-3-5-6;2-1-3/h1-5H,(H,8,9);1H,(H2,2,3).
What are the key properties of benzoic acid;formamide?
benzoic acid;formamide has a molecular weight of 167.16 g/mol, XLogP of 0.49, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzoic acid;formamide is sourced from PubChem (CID 23295678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).