4-chloro-N-[2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]phenyl]benzamide

C23H16ClF3N4O2 — CID 31965173

IUPAC4-chloro-N-[2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]phenyl]benzamide
SMILESO=C(Cn1c(C(F)(F)F)nc2ccccc21)Nc1ccccc1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H16ClF3N4O2/c24-15-11-9-14(10-12-15)21(33)29-17-6-2-1-5-16(17)28-20(32)13-31-19-8-4-3-7-18(19)30-22(31)23(25,26)27/h1-12H,13H2,(H,28,32)(H,29,33)
InChIKeyGPEXGWHLQAWWNF-UHFFFAOYSA-N
MW472.85 g/mol
LogP5.60
Rot. Bonds5

About 4-chloro-N-[2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]phenyl]benzamide

4-chloro-N-[2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]phenyl]benzamide (PubChem CID 31965173) has the molecular formula C23H16ClF3N4O2 and a molecular weight of 472.85 g/mol. Its IUPAC name is 4-chloro-N-[2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]phenyl]benzamide
PubChem CID31965173
Molecular FormulaC23H16ClF3N4O2
Molecular Weight472.85 g/mol
Exact Mass472.09
IUPAC Name4-chloro-N-[2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]phenyl]benzamide
SMILESO=C(Cn1c(C(F)(F)F)nc2ccccc21)Nc1ccccc1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H16ClF3N4O2/c24-15-11-9-14(10-12-15)21(33)29-17-6-2-1-5-16(17)28-20(32)13-31-19-8-4-3-7-18(19)30-22(31)23(25,26)27/h1-12H,13H2,(H,28,32)(H,29,33)
InChIKeyGPEXGWHLQAWWNF-UHFFFAOYSA-N
XLogP5.60
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.85
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-chloro-N-[2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]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

Related Compounds

N-(2-fluoro-5-methylphenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 40723406
N-[2-(difluoromethylsulfanyl)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 40723417
N-cyclopropyl-2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]benzamide
CID 26905640
N-(9,10-dioxoanthracen-1-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 39045058
N-(4-oxo-1H-pyridin-3-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 51114324
N-(2-phenylethyl)-2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]benzamide
CID 30279791
N-(2-bromophenyl)-2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]acetamide
CID 26622776
N-[2-(piperidine-1-carbonyl)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 35275235
N-(2-morpholin-4-ylphenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 4878936
N-(3-iodophenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 26517476
N-[2-(2-phenylethoxy)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 55674996
N-(2-piperidin-1-ylsulfonylphenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 60549313

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]phenyl]benzamide?
The IUPAC name of 4-chloro-N-[2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]phenyl]benzamide (CID 31965173) is 4-chloro-N-[2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]phenyl]benzamide is O=C(Cn1c(C(F)(F)F)nc2ccccc21)Nc1ccccc1NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]phenyl]benzamide?
The InChIKey is GPEXGWHLQAWWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClF3N4O2/c24-15-11-9-14(10-12-15)21(33)29-17-6-2-1-5-16(17)28-20(32)13-31-19-8-4-3-7-18(19)30-22(31)23(25,26)27/h1-12H,13H2,(H,28,32)(H,29,33).
What are the key properties of 4-chloro-N-[2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]phenyl]benzamide?
4-chloro-N-[2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]phenyl]benzamide has a molecular weight of 472.85 g/mol, XLogP of 5.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]phenyl]benzamide is sourced from PubChem (CID 31965173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).