N-[2-chloro-5-(difluoromethyl)phenyl]-2-[[2-[4-(trifluoromethoxy)anilino]-3H-benzimidazol-5-yl]oxy]acetamide

C23H16ClF5N4O3 — CID 123852648

About N-[2-chloro-5-(difluoromethyl)phenyl]-2-[[2-[4-(trifluoromethoxy)anilino]-3H-benzimidazol-5-yl]oxy]acetamide

N-[2-chloro-5-(difluoromethyl)phenyl]-2-[[2-[4-(trifluoromethoxy)anilino]-3H-benzimidazol-5-yl]oxy]acetamide (PubChem CID 123852648) has the molecular formula C23H16ClF5N4O3 and a molecular weight of 526.85 g/mol. Its IUPAC name is N-[2-chloro-5-(difluoromethyl)phenyl]-2-[[2-[4-(trifluoromethoxy)anilino]-3H-benzimidazol-5-yl]oxy]acetamide.

Molecular Properties

• Compound Name: N-[2-chloro-5-(difluoromethyl)phenyl]-2-[[2-[4-(trifluoromethoxy)anilino]-3H-benzimidazol-5-yl]oxy]acetamide
• PubChem CID: 123852648
• Molecular Formula: C23H16ClF5N4O3
• Molecular Weight: 526.85 g/mol
• Exact Mass: 526.08
• IUPAC Name: N-[2-chloro-5-(difluoromethyl)phenyl]-2-[[2-[4-(trifluoromethoxy)anilino]-3H-benzimidazol-5-yl]oxy]acetamide
• SMILES: O=C(COc1ccc2nc(Nc3ccc(OC(F)(F)F)cc3)[nH]c2c1)Nc1cc(C(F)F)ccc1Cl
• InChI: InChI=1S/C23H16ClF5N4O3/c24-16-7-1-12(21(25)26)9-18(16)31-20(34)11-35-15-6-8-17-19(10-15)33-22(32-17)30-13-2-4-14(5-3-13)36-23(27,28)29/h1-10,21H,11H2,(H,31,34)(H2,30,32,33)
• InChIKey: JWTHACUCACGLCR-UHFFFAOYSA-N
• XLogP: 6.81
• TPSA: 88.27 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	526.85
LogP ≤ 5	6.81
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(difluoromethyl)phenyl]-2-[[2-[4-(trifluoromethoxy)anilino]-3H-benzimidazol-5-yl]oxy]acetamide?

The IUPAC name of N-[2-chloro-5-(difluoromethyl)phenyl]-2-[[2-[4-(trifluoromethoxy)anilino]-3H-benzimidazol-5-yl]oxy]acetamide (CID 123852648) is N-[2-chloro-5-(difluoromethyl)phenyl]-2-[[2-[4-(trifluoromethoxy)anilino]-3H-benzimidazol-5-yl]oxy]acetamide.

What is the SMILES notation for N-[2-chloro-5-(difluoromethyl)phenyl]-2-[[2-[4-(trifluoromethoxy)anilino]-3H-benzimidazol-5-yl]oxy]acetamide?

The canonical SMILES for N-[2-chloro-5-(difluoromethyl)phenyl]-2-[[2-[4-(trifluoromethoxy)anilino]-3H-benzimidazol-5-yl]oxy]acetamide is O=C(COc1ccc2nc(Nc3ccc(OC(F)(F)F)cc3)[nH]c2c1)Nc1cc(C(F)F)ccc1Cl.

What is the InChIKey of N-[2-chloro-5-(difluoromethyl)phenyl]-2-[[2-[4-(trifluoromethoxy)anilino]-3H-benzimidazol-5-yl]oxy]acetamide?

The InChIKey is JWTHACUCACGLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClF5N4O3/c24-16-7-1-12(21(25)26)9-18(16)31-20(34)11-35-15-6-8-17-19(10-15)33-22(32-17)30-13-2-4-14(5-3-13)36-23(27,28)29/h1-10,21H,11H2,(H,31,34)(H2,30,32,33).

What are the key properties of N-[2-chloro-5-(difluoromethyl)phenyl]-2-[[2-[4-(trifluoromethoxy)anilino]-3H-benzimidazol-5-yl]oxy]acetamide?

N-[2-chloro-5-(difluoromethyl)phenyl]-2-[[2-[4-(trifluoromethoxy)anilino]-3H-benzimidazol-5-yl]oxy]acetamide has a molecular weight of 526.85 g/mol, XLogP of 6.81, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-chloro-5-(difluoromethyl)phenyl]-2-[[2-[4-(trifluoromethoxy)anilino]-3H-benzimidazol-5-yl]oxy]acetamide is sourced from PubChem (CID 123852648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).