4-anilinooxy-N-(4-benzoylphenyl)benzamide

C26H20N2O3 — CID 143832417

IUPAC4-anilinooxy-N-(4-benzoylphenyl)benzamide
SMILESO=C(Nc1ccc(C(=O)c2ccccc2)cc1)c1ccc(ONc2ccccc2)cc1
InChIInChI=1S/C26H20N2O3/c29-25(19-7-3-1-4-8-19)20-11-15-22(16-12-20)27-26(30)21-13-17-24(18-14-21)31-28-23-9-5-2-6-10-23/h1-18,28H,(H,27,30)
InChIKeyUCTVULZZYDMACV-UHFFFAOYSA-N
MW408.46 g/mol
LogP5.58
Rot. Bonds7

About 4-anilinooxy-N-(4-benzoylphenyl)benzamide

4-anilinooxy-N-(4-benzoylphenyl)benzamide (PubChem CID 143832417) has the molecular formula C26H20N2O3 and a molecular weight of 408.46 g/mol. Its IUPAC name is 4-anilinooxy-N-(4-benzoylphenyl)benzamide.

Molecular Properties

Compound Name4-anilinooxy-N-(4-benzoylphenyl)benzamide
PubChem CID143832417
Molecular FormulaC26H20N2O3
Molecular Weight408.46 g/mol
Exact Mass408.15
IUPAC Name4-anilinooxy-N-(4-benzoylphenyl)benzamide
SMILESO=C(Nc1ccc(C(=O)c2ccccc2)cc1)c1ccc(ONc2ccccc2)cc1
InChIInChI=1S/C26H20N2O3/c29-25(19-7-3-1-4-8-19)20-11-15-22(16-12-20)27-26(30)21-13-17-24(18-14-21)31-28-23-9-5-2-6-10-23/h1-18,28H,(H,27,30)
InChIKeyUCTVULZZYDMACV-UHFFFAOYSA-N
XLogP5.58
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.46
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(phenylcarbamoyl)benzoyl]benzoic acid
CID 10315543
4-benzoyl-N-(4-fluorophenyl)benzamide
CID 2315903
N-(4-anilinophenyl)-4-benzamidobenzamide
CID 52560314
(4-benzamidophenyl) acetate
CID 34734144
2-[4-(phenylcarbamoyl)phenoxy]acetic acid
CID 28762607
2-(4-benzamidophenoxy)acetic acid
CID 3830392
N-(4-benzamidophenyl)-4-butoxybenzamide
CID 17235408
(4-benzamidophenyl) benzoate
CID 569583
molecular hydrogen;N-phenylbenzamide
CID 145238042
4-(2-anilino-2-oxoethoxy)-N-phenylbenzamide
CID 10545541
4-(2-methoxyethoxy)-N-phenylbenzamide
CID 15943269
N-[4-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1246678

Frequently Asked Questions

What is the IUPAC name of 4-anilinooxy-N-(4-benzoylphenyl)benzamide?
The IUPAC name of 4-anilinooxy-N-(4-benzoylphenyl)benzamide (CID 143832417) is 4-anilinooxy-N-(4-benzoylphenyl)benzamide.
What is the SMILES notation for 4-anilinooxy-N-(4-benzoylphenyl)benzamide?
The canonical SMILES for 4-anilinooxy-N-(4-benzoylphenyl)benzamide is O=C(Nc1ccc(C(=O)c2ccccc2)cc1)c1ccc(ONc2ccccc2)cc1.
What is the InChIKey of 4-anilinooxy-N-(4-benzoylphenyl)benzamide?
The InChIKey is UCTVULZZYDMACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O3/c29-25(19-7-3-1-4-8-19)20-11-15-22(16-12-20)27-26(30)21-13-17-24(18-14-21)31-28-23-9-5-2-6-10-23/h1-18,28H,(H,27,30).
What are the key properties of 4-anilinooxy-N-(4-benzoylphenyl)benzamide?
4-anilinooxy-N-(4-benzoylphenyl)benzamide has a molecular weight of 408.46 g/mol, XLogP of 5.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilinooxy-N-(4-benzoylphenyl)benzamide is sourced from PubChem (CID 143832417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).