N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-[(4-methylbenzoyl)amino]benzamide

C22H19N3O3 — CID 135419955

IUPACN-[(E)-(4-hydroxyphenyl)methylideneamino]-3-[(4-methylbenzoyl)amino]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(C(=O)N/N=C/c3ccc(O)cc3)c2)cc1
InChIInChI=1S/C22H19N3O3/c1-15-5-9-17(10-6-15)21(27)24-19-4-2-3-18(13-19)22(28)25-23-14-16-7-11-20(26)12-8-16/h2-14,26H,1H3,(H,24,27)(H,25,28)/b23-14+
InChIKeyVCEAYRWXYRKCEW-OEAKJJBVSA-N
MW373.41 g/mol
LogP3.72
Rot. Bonds5

About N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-[(4-methylbenzoyl)amino]benzamide

N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-[(4-methylbenzoyl)amino]benzamide (PubChem CID 135419955) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-[(4-methylbenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-[(E)-(4-hydroxyphenyl)methylideneamino]-3-[(4-methylbenzoyl)amino]benzamide
PubChem CID135419955
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC NameN-[(E)-(4-hydroxyphenyl)methylideneamino]-3-[(4-methylbenzoyl)amino]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(C(=O)N/N=C/c3ccc(O)cc3)c2)cc1
InChIInChI=1S/C22H19N3O3/c1-15-5-9-17(10-6-15)21(27)24-19-4-2-3-18(13-19)22(28)25-23-14-16-7-11-20(26)12-8-16/h2-14,26H,1H3,(H,24,27)(H,25,28)/b23-14+
InChIKeyVCEAYRWXYRKCEW-OEAKJJBVSA-N
XLogP3.72
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'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-[(E)-(4-hydroxyphenyl)methylideneamino]-3-[(4-methylbenzoyl)amino]benzamide?
The IUPAC name of N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-[(4-methylbenzoyl)amino]benzamide (CID 135419955) is N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-[(4-methylbenzoyl)amino]benzamide.
What is the SMILES notation for N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-[(4-methylbenzoyl)amino]benzamide?
The canonical SMILES for N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-[(4-methylbenzoyl)amino]benzamide is Cc1ccc(C(=O)Nc2cccc(C(=O)N/N=C/c3ccc(O)cc3)c2)cc1.
What is the InChIKey of N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-[(4-methylbenzoyl)amino]benzamide?
The InChIKey is VCEAYRWXYRKCEW-OEAKJJBVSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-15-5-9-17(10-6-15)21(27)24-19-4-2-3-18(13-19)22(28)25-23-14-16-7-11-20(26)12-8-16/h2-14,26H,1H3,(H,24,27)(H,25,28)/b23-14+.
What are the key properties of N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-[(4-methylbenzoyl)amino]benzamide?
N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-[(4-methylbenzoyl)amino]benzamide has a molecular weight of 373.41 g/mol, XLogP of 3.72, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-[(4-methylbenzoyl)amino]benzamide is sourced from PubChem (CID 135419955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).