4-chloro-N-[4-(3-imidazol-1-ylquinoxalin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide;4-chloro-N-[4-(3-pyridin-3-ylquinoxalin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide

C52H31Cl2F6N9O4 — CID 161426349

IUPAC4-chloro-N-[4-(3-imidazol-1-ylquinoxalin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide;4-chloro-N-[4-(3-pyridin-3-ylquinoxalin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(Oc2ccc3ncc(-c4cccnc4)nc3c2)cc1)c1ccc(Cl)c(C(F)(F)F)c1.O=C(Nc1ccc(Oc2ccc3ncc(-n4ccnc4)nc3c2)cc1)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C27H16ClF3N4O2.C25H15ClF3N5O2/c28-22-9-3-16(12-21(22)27(29,30)31)26(36)34-18-4-6-19(7-5-18)37-20-8-10-23-24(13-20)35-25(15-33-23)17-2-1-11-32-14-17;26-20-7-1-15(11-19(20)25(27,28)29)24(35)32-16-2-4-17(5-3-16)36-18-6-8-21-22(12-18)33-23(13-31-21)34-10-9-30-14-34/h1-15H,(H,34,36);1-14H,(H,32,35)
InChIKeyVXKGXQKHFZLZIX-UHFFFAOYSA-N
MW1030.77 g/mol
LogP13.94
Rot. Bonds10

About 4-chloro-N-[4-(3-imidazol-1-ylquinoxalin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide;4-chloro-N-[4-(3-pyridin-3-ylquinoxalin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide

4-chloro-N-[4-(3-imidazol-1-ylquinoxalin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide;4-chloro-N-[4-(3-pyridin-3-ylquinoxalin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide (PubChem CID 161426349) has the molecular formula C52H31Cl2F6N9O4 and a molecular weight of 1030.77 g/mol. Its IUPAC name is 4-chloro-N-[4-(3-imidazol-1-ylquinoxalin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide;4-chloro-N-[4-(3-pyridin-3-ylquinoxalin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-(3-imidazol-1-ylquinoxalin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide;4-chloro-N-[4-(3-pyridin-3-ylquinoxalin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide
PubChem CID161426349
Molecular FormulaC52H31Cl2F6N9O4
Molecular Weight1030.77 g/mol
Exact Mass1029.18
IUPAC Name4-chloro-N-[4-(3-imidazol-1-ylquinoxalin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide;4-chloro-N-[4-(3-pyridin-3-ylquinoxalin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(Oc2ccc3ncc(-c4cccnc4)nc3c2)cc1)c1ccc(Cl)c(C(F)(F)F)c1.O=C(Nc1ccc(Oc2ccc3ncc(-n4ccnc4)nc3c2)cc1)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C27H16ClF3N4O2.C25H15ClF3N5O2/c28-22-9-3-16(12-21(22)27(29,30)31)26(36)34-18-4-6-19(7-5-18)37-20-8-10-23-24(13-20)35-25(15-33-23)17-2-1-11-32-14-17;26-20-7-1-15(11-19(20)25(27,28)29)24(35)32-16-2-4-17(5-3-16)36-18-6-8-21-22(12-18)33-23(13-31-21)34-10-9-30-14-34/h1-15H,(H,34,36);1-14H,(H,32,35)
InChIKeyVXKGXQKHFZLZIX-UHFFFAOYSA-N
XLogP13.94
TPSA158.93 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001030.77
LogP ≤ 513.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 4-chloro-N-[4-(3-imidazol-1-ylquinoxalin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide;4-chloro-N-[4-(3-pyridin-3-ylquinoxalin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide with MolForge

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Related Compounds

4-[2-[4-chloro-3-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxy-N-[3-(4-methylpiperazin-1-yl)propyl]pyridine-2-carboxamide
CID 22040332
4-[2-[4-chloro-3-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxy-N-(3-piperidin-1-ylpropyl)pyridine-2-carboxamide
CID 22040390
4-[2-[4-chloro-3-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxy-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 22040423
4-[2-[4-chloro-3-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxy-N-(2-piperazin-1-ylethyl)pyridine-2-carboxamide
CID 22040762
4-[2-[4-chloro-3-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxy-N-(2-piperidin-1-ylethyl)pyridine-2-carboxamide
CID 22041115
4-chloro-N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-fluorobenzamide
CID 24751088
4-chloro-2-fluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide
CID 24751931
3-chloro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyridin-2-yl]benzamide
CID 24849982
4-chloro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyridin-2-yl]benzamide
CID 24850496
2-chloro-6-fluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyridin-2-yl]benzamide
CID 24850498
2-chloro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyridin-2-yl]benzamide
CID 24850540
4-chloro-2-fluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyridin-2-yl]benzamide
CID 24850586

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(3-imidazol-1-ylquinoxalin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide;4-chloro-N-[4-(3-pyridin-3-ylquinoxalin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-chloro-N-[4-(3-imidazol-1-ylquinoxalin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide;4-chloro-N-[4-(3-pyridin-3-ylquinoxalin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide (CID 161426349) is 4-chloro-N-[4-(3-imidazol-1-ylquinoxalin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide;4-chloro-N-[4-(3-pyridin-3-ylquinoxalin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-chloro-N-[4-(3-imidazol-1-ylquinoxalin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide;4-chloro-N-[4-(3-pyridin-3-ylquinoxalin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-chloro-N-[4-(3-imidazol-1-ylquinoxalin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide;4-chloro-N-[4-(3-pyridin-3-ylquinoxalin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide is O=C(Nc1ccc(Oc2ccc3ncc(-c4cccnc4)nc3c2)cc1)c1ccc(Cl)c(C(F)(F)F)c1.O=C(Nc1ccc(Oc2ccc3ncc(-n4ccnc4)nc3c2)cc1)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 4-chloro-N-[4-(3-imidazol-1-ylquinoxalin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide;4-chloro-N-[4-(3-pyridin-3-ylquinoxalin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is VXKGXQKHFZLZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H16ClF3N4O2.C25H15ClF3N5O2/c28-22-9-3-16(12-21(22)27(29,30)31)26(36)34-18-4-6-19(7-5-18)37-20-8-10-23-24(13-20)35-25(15-33-23)17-2-1-11-32-14-17;26-20-7-1-15(11-19(20)25(27,28)29)24(35)32-16-2-4-17(5-3-16)36-18-6-8-21-22(12-18)33-23(13-31-21)34-10-9-30-14-34/h1-15H,(H,34,36);1-14H,(H,32,35).
What are the key properties of 4-chloro-N-[4-(3-imidazol-1-ylquinoxalin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide;4-chloro-N-[4-(3-pyridin-3-ylquinoxalin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide?
4-chloro-N-[4-(3-imidazol-1-ylquinoxalin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide;4-chloro-N-[4-(3-pyridin-3-ylquinoxalin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 1030.77 g/mol, XLogP of 13.94, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(3-imidazol-1-ylquinoxalin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide;4-chloro-N-[4-(3-pyridin-3-ylquinoxalin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 161426349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).