ethyl 4-[(4-phenylphenyl)methylideneamino]benzoate

C22H19NO2 — CID 19608

IUPACethyl 4-[(4-phenylphenyl)methylideneamino]benzoate
SMILESCCOC(=O)c1ccc(/N=C/c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C22H19NO2/c1-2-25-22(24)20-12-14-21(15-13-20)23-16-17-8-10-19(11-9-17)18-6-4-3-5-7-18/h3-16H,2H2,1H3/b23-16+
InChIKeyXCBIEOXLPPQJNF-XQNSMLJCSA-N
MW329.40 g/mol
LogP5.28
Rot. Bonds5

About ethyl 4-[(4-phenylphenyl)methylideneamino]benzoate

ethyl 4-[(4-phenylphenyl)methylideneamino]benzoate (PubChem CID 19608) has the molecular formula C22H19NO2 and a molecular weight of 329.40 g/mol. Its IUPAC name is ethyl 4-[(4-phenylphenyl)methylideneamino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(4-phenylphenyl)methylideneamino]benzoate
PubChem CID19608
Molecular FormulaC22H19NO2
Molecular Weight329.40 g/mol
Exact Mass329.14
IUPAC Nameethyl 4-[(4-phenylphenyl)methylideneamino]benzoate
SMILESCCOC(=O)c1ccc(/N=C/c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C22H19NO2/c1-2-25-22(24)20-12-14-21(15-13-20)23-16-17-8-10-19(11-9-17)18-6-4-3-5-7-18/h3-16H,2H2,1H3/b23-16+
InChIKeyXCBIEOXLPPQJNF-XQNSMLJCSA-N
XLogP5.28
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.40
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

methyl 11H-dibenzo[b,e]azepine-10-carboxylate
CID 42635158
p-(p-Phenylphenacylideneamino)benzoic acid
CID 19383
methyl 11H-dibenzo[b,e]azepine-2-carboxylate
CID 46890004
11H-dibenzo[b,e]azepine-8-carboxylic Acid MethylEster
CID 42635157
Ethyl 4-((3-nitrophenyl)methylideneamino)benzoate
CID 52271
Benzoic acid, 2-[[2-methyl-3-[4-(1-methylethyl)phenyl]propylidene]amino]-, methyl ester
CID 101555
Methyl 4-(4-tert-butylbenzylideneamino)benzoate
CID 45483180
4-(4-Tert-butylbenzylideneamino)benzoic acid
CID 45483280
N-(4-ethoxycarbonylphenyl)-1-phenylmethanimine oxide
CID 11687636
11H-dibenzo[b,e]azepine-10-carboxylic acid butyl ester hydrochloride
CID 42635337
butyl 11H-benzo[c][1]benzazepine-10-carboxylate;hydrochloride
CID 42635338
11H-dibenzo[b,e]azepine-8-carboxylic acid isopropyl ester
CID 42635340

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-phenylphenyl)methylideneamino]benzoate?
The IUPAC name of ethyl 4-[(4-phenylphenyl)methylideneamino]benzoate (CID 19608) is ethyl 4-[(4-phenylphenyl)methylideneamino]benzoate.
What is the SMILES notation for ethyl 4-[(4-phenylphenyl)methylideneamino]benzoate?
The canonical SMILES for ethyl 4-[(4-phenylphenyl)methylideneamino]benzoate is CCOC(=O)c1ccc(/N=C/c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of ethyl 4-[(4-phenylphenyl)methylideneamino]benzoate?
The InChIKey is XCBIEOXLPPQJNF-XQNSMLJCSA-N. The full InChI is InChI=1S/C22H19NO2/c1-2-25-22(24)20-12-14-21(15-13-20)23-16-17-8-10-19(11-9-17)18-6-4-3-5-7-18/h3-16H,2H2,1H3/b23-16+.
What are the key properties of ethyl 4-[(4-phenylphenyl)methylideneamino]benzoate?
ethyl 4-[(4-phenylphenyl)methylideneamino]benzoate has a molecular weight of 329.40 g/mol, XLogP of 5.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-phenylphenyl)methylideneamino]benzoate is sourced from PubChem (CID 19608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).