3-chloro-4-(N,4-dimethylanilino)benzaldehyde

C15H14ClNO — CID 81146280

IUPAC3-chloro-4-(N,4-dimethylanilino)benzaldehyde
SMILESCc1ccc(N(C)c2ccc(C=O)cc2Cl)cc1
InChIInChI=1S/C15H14ClNO/c1-11-3-6-13(7-4-11)17(2)15-8-5-12(10-18)9-14(15)16/h3-10H,1-2H3
InChIKeyQCUJDHSOQJFYOW-UHFFFAOYSA-N
MW259.74 g/mol
LogP4.23
Rot. Bonds3

About 3-chloro-4-(N,4-dimethylanilino)benzaldehyde

3-chloro-4-(N,4-dimethylanilino)benzaldehyde (PubChem CID 81146280) has the molecular formula C15H14ClNO and a molecular weight of 259.74 g/mol. Its IUPAC name is 3-chloro-4-(N,4-dimethylanilino)benzaldehyde.

Molecular Properties

Compound Name3-chloro-4-(N,4-dimethylanilino)benzaldehyde
PubChem CID81146280
Molecular FormulaC15H14ClNO
Molecular Weight259.74 g/mol
Exact Mass259.08
IUPAC Name3-chloro-4-(N,4-dimethylanilino)benzaldehyde
SMILESCc1ccc(N(C)c2ccc(C=O)cc2Cl)cc1
InChIInChI=1S/C15H14ClNO/c1-11-3-6-13(7-4-11)17(2)15-8-5-12(10-18)9-14(15)16/h3-10H,1-2H3
InChIKeyQCUJDHSOQJFYOW-UHFFFAOYSA-N
XLogP4.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 54.23
H-Bond Donors ≤ 50
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 3-chloro-4-(N,4-dimethylanilino)benzaldehyde?
The IUPAC name of 3-chloro-4-(N,4-dimethylanilino)benzaldehyde (CID 81146280) is 3-chloro-4-(N,4-dimethylanilino)benzaldehyde.
What is the SMILES notation for 3-chloro-4-(N,4-dimethylanilino)benzaldehyde?
The canonical SMILES for 3-chloro-4-(N,4-dimethylanilino)benzaldehyde is Cc1ccc(N(C)c2ccc(C=O)cc2Cl)cc1.
What is the InChIKey of 3-chloro-4-(N,4-dimethylanilino)benzaldehyde?
The InChIKey is QCUJDHSOQJFYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO/c1-11-3-6-13(7-4-11)17(2)15-8-5-12(10-18)9-14(15)16/h3-10H,1-2H3.
What are the key properties of 3-chloro-4-(N,4-dimethylanilino)benzaldehyde?
3-chloro-4-(N,4-dimethylanilino)benzaldehyde has a molecular weight of 259.74 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(N,4-dimethylanilino)benzaldehyde is sourced from PubChem (CID 81146280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).