N-[4-[5-chloro-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]-N-(2,3-difluorobenzoyl)-2,3-difluorobenzamide;N-[4-[6-chloro-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]-N-(2,3-difluorobenzoyl)-2,3-difluorobenzamide

C56H26Cl2F14N6O4 — CID 87839683

IUPACN-[4-[5-chloro-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]-N-(2,3-difluorobenzoyl)-2,3-difluorobenzamide;N-[4-[6-chloro-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]-N-(2,3-difluorobenzoyl)-2,3-difluorobenzamide
SMILESO=C(c1cccc(F)c1F)N(C(=O)c1cccc(F)c1F)c1ccc(-n2c(C(F)(F)F)nc3cc(Cl)ccc32)cc1.O=C(c1cccc(F)c1F)N(C(=O)c1cccc(F)c1F)c1ccc(-n2c(C(F)(F)F)nc3ccc(Cl)cc32)cc1
InChIInChI=1S/2C28H13ClF7N3O2/c29-14-7-12-22-21(13-14)37-27(28(34,35)36)38(22)15-8-10-16(11-9-15)39(25(40)17-3-1-5-19(30)23(17)32)26(41)18-4-2-6-20(31)24(18)33;29-14-7-12-21-22(13-14)38(27(37-21)28(34,35)36)15-8-10-16(11-9-15)39(25(40)17-3-1-5-19(30)23(17)32)26(41)18-4-2-6-20(31)24(18)33/h2*1-13H
InChIKeyOKTAZWYJZXIWEO-UHFFFAOYSA-N
MW1183.74 g/mol
LogP15.48
Rot. Bonds8

About N-[4-[5-chloro-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]-N-(2,3-difluorobenzoyl)-2,3-difluorobenzamide;N-[4-[6-chloro-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]-N-(2,3-difluorobenzoyl)-2,3-difluorobenzamide

N-[4-[5-chloro-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]-N-(2,3-difluorobenzoyl)-2,3-difluorobenzamide;N-[4-[6-chloro-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]-N-(2,3-difluorobenzoyl)-2,3-difluorobenzamide (PubChem CID 87839683) has the molecular formula C56H26Cl2F14N6O4 and a molecular weight of 1183.74 g/mol. Its IUPAC name is N-[4-[5-chloro-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]-N-(2,3-difluorobenzoyl)-2,3-difluorobenzamide;N-[4-[6-chloro-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]-N-(2,3-difluorobenzoyl)-2,3-difluorobenzamide.

Molecular Properties

Compound NameN-[4-[5-chloro-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]-N-(2,3-difluorobenzoyl)-2,3-difluorobenzamide;N-[4-[6-chloro-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]-N-(2,3-difluorobenzoyl)-2,3-difluorobenzamide
PubChem CID87839683
Molecular FormulaC56H26Cl2F14N6O4
Molecular Weight1183.74 g/mol
Exact Mass1182.12
IUPAC NameN-[4-[5-chloro-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]-N-(2,3-difluorobenzoyl)-2,3-difluorobenzamide;N-[4-[6-chloro-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]-N-(2,3-difluorobenzoyl)-2,3-difluorobenzamide
SMILESO=C(c1cccc(F)c1F)N(C(=O)c1cccc(F)c1F)c1ccc(-n2c(C(F)(F)F)nc3cc(Cl)ccc32)cc1.O=C(c1cccc(F)c1F)N(C(=O)c1cccc(F)c1F)c1ccc(-n2c(C(F)(F)F)nc3ccc(Cl)cc32)cc1
InChIInChI=1S/2C28H13ClF7N3O2/c29-14-7-12-22-21(13-14)37-27(28(34,35)36)38(22)15-8-10-16(11-9-15)39(25(40)17-3-1-5-19(30)23(17)32)26(41)18-4-2-6-20(31)24(18)33;29-14-7-12-21-22(13-14)38(27(37-21)28(34,35)36)15-8-10-16(11-9-15)39(25(40)17-3-1-5-19(30)23(17)32)26(41)18-4-2-6-20(31)24(18)33/h2*1-13H
InChIKeyOKTAZWYJZXIWEO-UHFFFAOYSA-N
XLogP15.48
TPSA110.40 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms82
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001183.74
LogP ≤ 515.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[4-[5-chloro-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]-N-(2,3-difluorobenzoyl)-2,3-difluorobenzamide;N-[4-[6-chloro-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]-N-(2,3-difluorobenzoyl)-2,3-difluorobenzamide 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 N-[4-[5-chloro-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]-N-(2,3-difluorobenzoyl)-2,3-difluorobenzamide;N-[4-[6-chloro-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]-N-(2,3-difluorobenzoyl)-2,3-difluorobenzamide?
The IUPAC name of N-[4-[5-chloro-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]-N-(2,3-difluorobenzoyl)-2,3-difluorobenzamide;N-[4-[6-chloro-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]-N-(2,3-difluorobenzoyl)-2,3-difluorobenzamide (CID 87839683) is N-[4-[5-chloro-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]-N-(2,3-difluorobenzoyl)-2,3-difluorobenzamide;N-[4-[6-chloro-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]-N-(2,3-difluorobenzoyl)-2,3-difluorobenzamide.
What is the SMILES notation for N-[4-[5-chloro-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]-N-(2,3-difluorobenzoyl)-2,3-difluorobenzamide;N-[4-[6-chloro-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]-N-(2,3-difluorobenzoyl)-2,3-difluorobenzamide?
The canonical SMILES for N-[4-[5-chloro-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]-N-(2,3-difluorobenzoyl)-2,3-difluorobenzamide;N-[4-[6-chloro-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]-N-(2,3-difluorobenzoyl)-2,3-difluorobenzamide is O=C(c1cccc(F)c1F)N(C(=O)c1cccc(F)c1F)c1ccc(-n2c(C(F)(F)F)nc3cc(Cl)ccc32)cc1.O=C(c1cccc(F)c1F)N(C(=O)c1cccc(F)c1F)c1ccc(-n2c(C(F)(F)F)nc3ccc(Cl)cc32)cc1.
What is the InChIKey of N-[4-[5-chloro-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]-N-(2,3-difluorobenzoyl)-2,3-difluorobenzamide;N-[4-[6-chloro-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]-N-(2,3-difluorobenzoyl)-2,3-difluorobenzamide?
The InChIKey is OKTAZWYJZXIWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H13ClF7N3O2/c29-14-7-12-22-21(13-14)37-27(28(34,35)36)38(22)15-8-10-16(11-9-15)39(25(40)17-3-1-5-19(30)23(17)32)26(41)18-4-2-6-20(31)24(18)33;29-14-7-12-21-22(13-14)38(27(37-21)28(34,35)36)15-8-10-16(11-9-15)39(25(40)17-3-1-5-19(30)23(17)32)26(41)18-4-2-6-20(31)24(18)33/h2*1-13H.
What are the key properties of N-[4-[5-chloro-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]-N-(2,3-difluorobenzoyl)-2,3-difluorobenzamide;N-[4-[6-chloro-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]-N-(2,3-difluorobenzoyl)-2,3-difluorobenzamide?
N-[4-[5-chloro-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]-N-(2,3-difluorobenzoyl)-2,3-difluorobenzamide;N-[4-[6-chloro-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]-N-(2,3-difluorobenzoyl)-2,3-difluorobenzamide has a molecular weight of 1183.74 g/mol, XLogP of 15.48, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-chloro-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]-N-(2,3-difluorobenzoyl)-2,3-difluorobenzamide;N-[4-[6-chloro-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]-N-(2,3-difluorobenzoyl)-2,3-difluorobenzamide is sourced from PubChem (CID 87839683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).