4-(N-benzyl-4-formylanilino)benzaldehyde

C21H17NO2 — CID 18955916

IUPAC4-(N-benzyl-4-formylanilino)benzaldehyde
SMILESO=Cc1ccc(N(Cc2ccccc2)c2ccc(C=O)cc2)cc1
InChIInChI=1S/C21H17NO2/c23-15-18-6-10-20(11-7-18)22(14-17-4-2-1-3-5-17)21-12-8-19(16-24)9-13-21/h1-13,15-16H,14H2
InChIKeyBIVIUXDLUFERES-UHFFFAOYSA-N
MW315.37 g/mol
LogP4.65
Rot. Bonds6

About 4-(N-benzyl-4-formylanilino)benzaldehyde

4-(N-benzyl-4-formylanilino)benzaldehyde (PubChem CID 18955916) has the molecular formula C21H17NO2 and a molecular weight of 315.37 g/mol. Its IUPAC name is 4-(N-benzyl-4-formylanilino)benzaldehyde.

Molecular Properties

Compound Name4-(N-benzyl-4-formylanilino)benzaldehyde
PubChem CID18955916
Molecular FormulaC21H17NO2
Molecular Weight315.37 g/mol
Exact Mass315.13
IUPAC Name4-(N-benzyl-4-formylanilino)benzaldehyde
SMILESO=Cc1ccc(N(Cc2ccccc2)c2ccc(C=O)cc2)cc1
InChIInChI=1S/C21H17NO2/c23-15-18-6-10-20(11-7-18)22(14-17-4-2-1-3-5-17)21-12-8-19(16-24)9-13-21/h1-13,15-16H,14H2
InChIKeyBIVIUXDLUFERES-UHFFFAOYSA-N
XLogP4.65
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[benzyl(hydroxy)amino]methyl]benzaldehyde
CID 143874534
2-[[4-[N-benzyl-4-[N-benzyl-4-[(1,3-dioxoinden-2-ylidene)methyl]anilino]anilino]phenyl]methylidene]indene-1,3-dione
CID 59994776
4-[methyl(2-phenylethyl)amino]benzaldehyde
CID 65487426
benzene;terephthalaldehyde
CID 163498156
3-[benzyl(ethyl)amino]benzaldehyde
CID 84758568
1-(4-formylphenyl)-1-phenylurea
CID 57262410
N-benzyl-N-phenylaniline;ethane;ethylbenzene;4-ethyl-N,N-diphenylaniline;N-ethyl-N-phenylaniline
CID 159513520
benzaldehyde;phenylmethanol
CID 87934574
N,N-diphenyl-4-[4-[4-[(N-phenylanilino)methyl]phenyl]phenyl]aniline
CID 155085132
N,N-dibenzyl-4-(2-phenylethenyl)aniline
CID 54154139
benzaldehyde;formamide
CID 87258384
4-N-(4-ethenylphenyl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;methylidene(triphenyl)-λ5-phosphane;4-(N-[4-(N-phenylanilino)phenyl]anilino)benzaldehyde
CID 159908883

Frequently Asked Questions

What is the IUPAC name of 4-(N-benzyl-4-formylanilino)benzaldehyde?
The IUPAC name of 4-(N-benzyl-4-formylanilino)benzaldehyde (CID 18955916) is 4-(N-benzyl-4-formylanilino)benzaldehyde.
What is the SMILES notation for 4-(N-benzyl-4-formylanilino)benzaldehyde?
The canonical SMILES for 4-(N-benzyl-4-formylanilino)benzaldehyde is O=Cc1ccc(N(Cc2ccccc2)c2ccc(C=O)cc2)cc1.
What is the InChIKey of 4-(N-benzyl-4-formylanilino)benzaldehyde?
The InChIKey is BIVIUXDLUFERES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO2/c23-15-18-6-10-20(11-7-18)22(14-17-4-2-1-3-5-17)21-12-8-19(16-24)9-13-21/h1-13,15-16H,14H2.
What are the key properties of 4-(N-benzyl-4-formylanilino)benzaldehyde?
4-(N-benzyl-4-formylanilino)benzaldehyde has a molecular weight of 315.37 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-benzyl-4-formylanilino)benzaldehyde is sourced from PubChem (CID 18955916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).