4-[2-[(4-phenylphenyl)methylideneamino]ethyl]benzoic acid

C22H19NO2 — CID 54335260

IUPAC4-[2-[(4-phenylphenyl)methylideneamino]ethyl]benzoic acid
SMILESO=C(O)c1ccc(CC/N=C/c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C22H19NO2/c24-22(25)21-12-6-17(7-13-21)14-15-23-16-18-8-10-20(11-9-18)19-4-2-1-3-5-19/h1-13,16H,14-15H2,(H,24,25)/b23-16+
InChIKeyTVAJVWJKIIEQBU-XQNSMLJCSA-N
MW329.40 g/mol
LogP4.71
Rot. Bonds6

About 4-[2-[(4-phenylphenyl)methylideneamino]ethyl]benzoic acid

4-[2-[(4-phenylphenyl)methylideneamino]ethyl]benzoic acid (PubChem CID 54335260) has the molecular formula C22H19NO2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 4-[2-[(4-phenylphenyl)methylideneamino]ethyl]benzoic acid.

Molecular Properties

Compound Name4-[2-[(4-phenylphenyl)methylideneamino]ethyl]benzoic acid
PubChem CID54335260
Molecular FormulaC22H19NO2
Molecular Weight329.40 g/mol
Exact Mass329.14
IUPAC Name4-[2-[(4-phenylphenyl)methylideneamino]ethyl]benzoic acid
SMILESO=C(O)c1ccc(CC/N=C/c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C22H19NO2/c24-22(25)21-12-6-17(7-13-21)14-15-23-16-18-8-10-20(11-9-18)19-4-2-1-3-5-19/h1-13,16H,14-15H2,(H,24,25)/b23-16+
InChIKeyTVAJVWJKIIEQBU-XQNSMLJCSA-N
XLogP4.71
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

sodium;hydride;4-phenylbenzoic acid
CID 173392993
potassium;hydride;4-phenylbenzoic acid
CID 173045180
ethane;4-phenylbenzoic acid;propane
CID 156791718
4-phenylbenzoic acid;prop-2-enamide
CID 68663596
4-[4-[(E)-4-carboxy-3-methylbut-3-enyl]phenyl]benzoic acid
CID 110447067
4-[4-[4-(4-methylphenyl)butyl]phenyl]benzoic acid
CID 67375612
N-decyl-1-(4-phenylphenyl)methanimine
CID 86187503
4-[[[3-oxo-3-(2-phenylethylamino)propanoyl]hydrazinylidene]methyl]benzoic acid
CID 2254790
benzoic acid;(2S)-2,6-diaminohexanoic acid;4-phenylbenzaldehyde;2-phenylethanamine
CID 160794826
4-(2-aminoethyl)benzoic acid;aniline
CID 159090875
4-(4-butylphenyl)benzoic acid;ethane
CID 144633228
1-(4-phenylphenyl)-N-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)methanimine
CID 102094256

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-phenylphenyl)methylideneamino]ethyl]benzoic acid?
The IUPAC name of 4-[2-[(4-phenylphenyl)methylideneamino]ethyl]benzoic acid (CID 54335260) is 4-[2-[(4-phenylphenyl)methylideneamino]ethyl]benzoic acid.
What is the SMILES notation for 4-[2-[(4-phenylphenyl)methylideneamino]ethyl]benzoic acid?
The canonical SMILES for 4-[2-[(4-phenylphenyl)methylideneamino]ethyl]benzoic acid is O=C(O)c1ccc(CC/N=C/c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 4-[2-[(4-phenylphenyl)methylideneamino]ethyl]benzoic acid?
The InChIKey is TVAJVWJKIIEQBU-XQNSMLJCSA-N. The full InChI is InChI=1S/C22H19NO2/c24-22(25)21-12-6-17(7-13-21)14-15-23-16-18-8-10-20(11-9-18)19-4-2-1-3-5-19/h1-13,16H,14-15H2,(H,24,25)/b23-16+.
What are the key properties of 4-[2-[(4-phenylphenyl)methylideneamino]ethyl]benzoic acid?
4-[2-[(4-phenylphenyl)methylideneamino]ethyl]benzoic acid has a molecular weight of 329.40 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-phenylphenyl)methylideneamino]ethyl]benzoic acid is sourced from PubChem (CID 54335260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).