About N-[4-(4-methoxyphenyl)anilino]formamide
N-[4-(4-methoxyphenyl)anilino]formamide (PubChem CID 140931286) has the molecular formula C14H14N2O2
and a molecular weight of 242.28 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)anilino]formamide.
Molecular Properties
| Compound Name | N-[4-(4-methoxyphenyl)anilino]formamide |
| PubChem CID | 140931286 |
| Molecular Formula | C14H14N2O2 |
| Molecular Weight | 242.28 g/mol |
| Exact Mass | 242.11 |
| IUPAC Name | N-[4-(4-methoxyphenyl)anilino]formamide |
| SMILES | COc1ccc(-c2ccc(NNC=O)cc2)cc1 |
| InChI | InChI=1S/C14H14N2O2/c1-18-14-8-4-12(5-9-14)11-2-6-13(7-3-11)16-15-10-17/h2-10,16H,1H3,(H,15,17) |
| InChIKey | SRUXJPMVIIEJEK-UHFFFAOYSA-N |
| XLogP | 2.44 |
| TPSA | 50.36 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 18 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 242.28 |
| LogP ≤ 5 | 2.44 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-[4-(4-methoxyphenyl)anilino]formamide?
The IUPAC name of N-[4-(4-methoxyphenyl)anilino]formamide (CID 140931286) is N-[4-(4-methoxyphenyl)anilino]formamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)anilino]formamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)anilino]formamide is COc1ccc(-c2ccc(NNC=O)cc2)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)anilino]formamide?
The InChIKey is SRUXJPMVIIEJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-18-14-8-4-12(5-9-14)11-2-6-13(7-3-11)16-15-10-17/h2-10,16H,1H3,(H,15,17).
What are the key properties of N-[4-(4-methoxyphenyl)anilino]formamide?
N-[4-(4-methoxyphenyl)anilino]formamide has a molecular weight of 242.28 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)anilino]formamide is sourced from PubChem (CID 140931286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).