4-(2-formylanilino)-3-methylbenzaldehyde

C15H13NO2 — CID 89300511

IUPAC4-(2-formylanilino)-3-methylbenzaldehyde
SMILESCc1cc(C=O)ccc1Nc1ccccc1C=O
InChIInChI=1S/C15H13NO2/c1-11-8-12(9-17)6-7-14(11)16-15-5-3-2-4-13(15)10-18/h2-10,16H,1H3
InChIKeyYUCJQJSIUGNTSC-UHFFFAOYSA-N
MW239.27 g/mol
LogP3.36
Rot. Bonds4

About 4-(2-formylanilino)-3-methylbenzaldehyde

4-(2-formylanilino)-3-methylbenzaldehyde (PubChem CID 89300511) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 4-(2-formylanilino)-3-methylbenzaldehyde.

Molecular Properties

Compound Name4-(2-formylanilino)-3-methylbenzaldehyde
PubChem CID89300511
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name4-(2-formylanilino)-3-methylbenzaldehyde
SMILESCc1cc(C=O)ccc1Nc1ccccc1C=O
InChIInChI=1S/C15H13NO2/c1-11-8-12(9-17)6-7-14(11)16-15-5-3-2-4-13(15)10-18/h2-10,16H,1H3
InChIKeyYUCJQJSIUGNTSC-UHFFFAOYSA-N
XLogP3.36
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2-formylanilino)-3-methylbenzaldehyde?
The IUPAC name of 4-(2-formylanilino)-3-methylbenzaldehyde (CID 89300511) is 4-(2-formylanilino)-3-methylbenzaldehyde.
What is the SMILES notation for 4-(2-formylanilino)-3-methylbenzaldehyde?
The canonical SMILES for 4-(2-formylanilino)-3-methylbenzaldehyde is Cc1cc(C=O)ccc1Nc1ccccc1C=O.
What is the InChIKey of 4-(2-formylanilino)-3-methylbenzaldehyde?
The InChIKey is YUCJQJSIUGNTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c1-11-8-12(9-17)6-7-14(11)16-15-5-3-2-4-13(15)10-18/h2-10,16H,1H3.
What are the key properties of 4-(2-formylanilino)-3-methylbenzaldehyde?
4-(2-formylanilino)-3-methylbenzaldehyde has a molecular weight of 239.27 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-formylanilino)-3-methylbenzaldehyde is sourced from PubChem (CID 89300511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).