4-fluoro-N-[6-[(4-fluorobenzoyl)amino]acridin-3-yl]benzamide

C27H17F2N3O2 — CID 23643665

IUPAC4-fluoro-N-[6-[(4-fluorobenzoyl)amino]acridin-3-yl]benzamide
SMILESO=C(Nc1ccc2cc3ccc(NC(=O)c4ccc(F)cc4)cc3nc2c1)c1ccc(F)cc1
InChIInChI=1S/C27H17F2N3O2/c28-20-7-1-16(2-8-20)26(33)30-22-11-5-18-13-19-6-12-23(15-25(19)32-24(18)14-22)31-27(34)17-3-9-21(29)10-4-17/h1-15H,(H,30,33)(H,31,34)
InChIKeyLSWKBJOELKEXST-UHFFFAOYSA-N
MW453.45 g/mol
LogP6.17
Rot. Bonds4

About 4-fluoro-N-[6-[(4-fluorobenzoyl)amino]acridin-3-yl]benzamide

4-fluoro-N-[6-[(4-fluorobenzoyl)amino]acridin-3-yl]benzamide (PubChem CID 23643665) has the molecular formula C27H17F2N3O2 and a molecular weight of 453.45 g/mol. Its IUPAC name is 4-fluoro-N-[6-[(4-fluorobenzoyl)amino]acridin-3-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[6-[(4-fluorobenzoyl)amino]acridin-3-yl]benzamide
PubChem CID23643665
Molecular FormulaC27H17F2N3O2
Molecular Weight453.45 g/mol
Exact Mass453.13
IUPAC Name4-fluoro-N-[6-[(4-fluorobenzoyl)amino]acridin-3-yl]benzamide
SMILESO=C(Nc1ccc2cc3ccc(NC(=O)c4ccc(F)cc4)cc3nc2c1)c1ccc(F)cc1
InChIInChI=1S/C27H17F2N3O2/c28-20-7-1-16(2-8-20)26(33)30-22-11-5-18-13-19-6-12-23(15-25(19)32-24(18)14-22)31-27(34)17-3-9-21(29)10-4-17/h1-15H,(H,30,33)(H,31,34)
InChIKeyLSWKBJOELKEXST-UHFFFAOYSA-N
XLogP6.17
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.45
LogP ≤ 56.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[6-[(4-fluorobenzoyl)amino]acridin-3-yl]benzamide?
The IUPAC name of 4-fluoro-N-[6-[(4-fluorobenzoyl)amino]acridin-3-yl]benzamide (CID 23643665) is 4-fluoro-N-[6-[(4-fluorobenzoyl)amino]acridin-3-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[6-[(4-fluorobenzoyl)amino]acridin-3-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[6-[(4-fluorobenzoyl)amino]acridin-3-yl]benzamide is O=C(Nc1ccc2cc3ccc(NC(=O)c4ccc(F)cc4)cc3nc2c1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[6-[(4-fluorobenzoyl)amino]acridin-3-yl]benzamide?
The InChIKey is LSWKBJOELKEXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17F2N3O2/c28-20-7-1-16(2-8-20)26(33)30-22-11-5-18-13-19-6-12-23(15-25(19)32-24(18)14-22)31-27(34)17-3-9-21(29)10-4-17/h1-15H,(H,30,33)(H,31,34).
What are the key properties of 4-fluoro-N-[6-[(4-fluorobenzoyl)amino]acridin-3-yl]benzamide?
4-fluoro-N-[6-[(4-fluorobenzoyl)amino]acridin-3-yl]benzamide has a molecular weight of 453.45 g/mol, XLogP of 6.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[6-[(4-fluorobenzoyl)amino]acridin-3-yl]benzamide is sourced from PubChem (CID 23643665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).