N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]-4-phenylbenzamide

C21H18N2O2 — CID 6081739

IUPACN-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]-4-phenylbenzamide
SMILESC/C(=N/NC(=O)c1ccc(-c2ccccc2)cc1)c1cccc(O)c1
InChIInChI=1S/C21H18N2O2/c1-15(19-8-5-9-20(24)14-19)22-23-21(25)18-12-10-17(11-13-18)16-6-3-2-4-7-16/h2-14,24H,1H3,(H,23,25)/b22-15-
InChIKeyFVTRROKVJMJENU-JCMHNJIXSA-N
MW330.39 g/mol
LogP4.21
Rot. Bonds4

About N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]-4-phenylbenzamide

N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]-4-phenylbenzamide (PubChem CID 6081739) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]-4-phenylbenzamide
PubChem CID6081739
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC NameN-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]-4-phenylbenzamide
SMILESC/C(=N/NC(=O)c1ccc(-c2ccccc2)cc1)c1cccc(O)c1
InChIInChI=1S/C21H18N2O2/c1-15(19-8-5-9-20(24)14-19)22-23-21(25)18-12-10-17(11-13-18)16-6-3-2-4-7-16/h2-14,24H,1H3,(H,23,25)/b22-15-
InChIKeyFVTRROKVJMJENU-JCMHNJIXSA-N
XLogP4.21
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]-4-phenylbenzamide?
The IUPAC name of N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]-4-phenylbenzamide (CID 6081739) is N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]-4-phenylbenzamide.
What is the SMILES notation for N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]-4-phenylbenzamide?
The canonical SMILES for N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]-4-phenylbenzamide is C/C(=N/NC(=O)c1ccc(-c2ccccc2)cc1)c1cccc(O)c1.
What is the InChIKey of N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]-4-phenylbenzamide?
The InChIKey is FVTRROKVJMJENU-JCMHNJIXSA-N. The full InChI is InChI=1S/C21H18N2O2/c1-15(19-8-5-9-20(24)14-19)22-23-21(25)18-12-10-17(11-13-18)16-6-3-2-4-7-16/h2-14,24H,1H3,(H,23,25)/b22-15-.
What are the key properties of N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]-4-phenylbenzamide?
N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]-4-phenylbenzamide has a molecular weight of 330.39 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]-4-phenylbenzamide is sourced from PubChem (CID 6081739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).