3-acetamido-N-[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]benzamide

C28H21FN4O2 — CID 44523582

IUPAC3-acetamido-N-[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)Nc2cccc(-c3cccc(-c4nc5ccc(F)cc5[nH]4)c3)c2)c1
InChIInChI=1S/C28H21FN4O2/c1-17(34)30-23-9-4-8-21(15-23)28(35)31-24-10-3-6-19(14-24)18-5-2-7-20(13-18)27-32-25-12-11-22(29)16-26(25)33-27/h2-16H,1H3,(H,30,34)(H,31,35)(H,32,33)
InChIKeyFZHQCUAAHMVHFO-UHFFFAOYSA-N
MW464.50 g/mol
LogP6.25
Rot. Bonds5

About 3-acetamido-N-[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]benzamide

3-acetamido-N-[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]benzamide (PubChem CID 44523582) has the molecular formula C28H21FN4O2 and a molecular weight of 464.50 g/mol. Its IUPAC name is 3-acetamido-N-[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]benzamide.

Molecular Properties

Compound Name3-acetamido-N-[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]benzamide
PubChem CID44523582
Molecular FormulaC28H21FN4O2
Molecular Weight464.50 g/mol
Exact Mass464.16
IUPAC Name3-acetamido-N-[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)Nc2cccc(-c3cccc(-c4nc5ccc(F)cc5[nH]4)c3)c2)c1
InChIInChI=1S/C28H21FN4O2/c1-17(34)30-23-9-4-8-21(15-23)28(35)31-24-10-3-6-19(14-24)18-5-2-7-20(13-18)27-32-25-12-11-22(29)16-26(25)33-27/h2-16H,1H3,(H,30,34)(H,31,35)(H,32,33)
InChIKeyFZHQCUAAHMVHFO-UHFFFAOYSA-N
XLogP6.25
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.50
LogP ≤ 56.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-acetamido-N-[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]benzamide?
The IUPAC name of 3-acetamido-N-[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]benzamide (CID 44523582) is 3-acetamido-N-[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]benzamide.
What is the SMILES notation for 3-acetamido-N-[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]benzamide?
The canonical SMILES for 3-acetamido-N-[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]benzamide is CC(=O)Nc1cccc(C(=O)Nc2cccc(-c3cccc(-c4nc5ccc(F)cc5[nH]4)c3)c2)c1.
What is the InChIKey of 3-acetamido-N-[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]benzamide?
The InChIKey is FZHQCUAAHMVHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21FN4O2/c1-17(34)30-23-9-4-8-21(15-23)28(35)31-24-10-3-6-19(14-24)18-5-2-7-20(13-18)27-32-25-12-11-22(29)16-26(25)33-27/h2-16H,1H3,(H,30,34)(H,31,35)(H,32,33).
What are the key properties of 3-acetamido-N-[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]benzamide?
3-acetamido-N-[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]benzamide has a molecular weight of 464.50 g/mol, XLogP of 6.25, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]benzamide is sourced from PubChem (CID 44523582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).