4-chloro-N-[3-fluoro-5-(quinoxaline-6-carbonyl)phenyl]-3-(trifluoromethyl)benzamide

C23H12ClF4N3O2 — CID 89443152

IUPAC4-chloro-N-[3-fluoro-5-(quinoxaline-6-carbonyl)phenyl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1cc(F)cc(C(=O)c2ccc3nccnc3c2)c1)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C23H12ClF4N3O2/c24-18-3-1-13(9-17(18)23(26,27)28)22(33)31-16-8-14(7-15(25)11-16)21(32)12-2-4-19-20(10-12)30-6-5-29-19/h1-11H,(H,31,33)
InChIKeyLPJYQXPENJBBOB-UHFFFAOYSA-N
MW473.81 g/mol
LogP5.92
Rot. Bonds4

About 4-chloro-N-[3-fluoro-5-(quinoxaline-6-carbonyl)phenyl]-3-(trifluoromethyl)benzamide

4-chloro-N-[3-fluoro-5-(quinoxaline-6-carbonyl)phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 89443152) has the molecular formula C23H12ClF4N3O2 and a molecular weight of 473.81 g/mol. Its IUPAC name is 4-chloro-N-[3-fluoro-5-(quinoxaline-6-carbonyl)phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-fluoro-5-(quinoxaline-6-carbonyl)phenyl]-3-(trifluoromethyl)benzamide
PubChem CID89443152
Molecular FormulaC23H12ClF4N3O2
Molecular Weight473.81 g/mol
Exact Mass473.06
IUPAC Name4-chloro-N-[3-fluoro-5-(quinoxaline-6-carbonyl)phenyl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1cc(F)cc(C(=O)c2ccc3nccnc3c2)c1)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C23H12ClF4N3O2/c24-18-3-1-13(9-17(18)23(26,27)28)22(33)31-16-8-14(7-15(25)11-16)21(32)12-2-4-19-20(10-12)30-6-5-29-19/h1-11H,(H,31,33)
InChIKeyLPJYQXPENJBBOB-UHFFFAOYSA-N
XLogP5.92
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.81
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[4-(quinoxaline-6-carbonyl)phenyl]-4-(trifluoromethyl)benzamide
CID 75203737
1-[3-fluoro-5-(quinoxaline-6-carbonyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 89443138
1-(3-chloro-4-fluorophenyl)-3-[3-fluoro-5-(quinoxaline-6-carbonyl)phenyl]urea
CID 89443349
2-chloro-N-[3-(quinoxaline-6-carbonyl)phenyl]-5-(trifluoromethyl)benzamide
CID 71533154
N-[4-chloro-3-(trifluoromethyl)phenyl]-3,5-difluorobenzamide
CID 2084506
N-[4-chloro-3-(trifluoromethyl)phenyl]quinoline-7-carboxamide
CID 142343699
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2,4,5-trifluoro-3-(quinoxaline-6-carbonyl)phenyl]urea
CID 71532996
3-chloro-N-[3,5-difluoro-4-(quinoxaline-6-carbonyl)phenyl]benzamide
CID 75204110
N-[3-(quinoxaline-6-carbonyl)phenyl]-2,5-bis(trifluoromethyl)benzamide
CID 129303111
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-fluoropyridine-4-carboxamide
CID 61295455
1-(4-chloro-3-fluorophenyl)-3-[4-(quinoxaline-6-carbonyl)phenyl]urea
CID 75203984
4-chloro-N-(3-chlorophenyl)-3-(trifluoromethyl)benzamide
CID 154268338

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-fluoro-5-(quinoxaline-6-carbonyl)phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-chloro-N-[3-fluoro-5-(quinoxaline-6-carbonyl)phenyl]-3-(trifluoromethyl)benzamide (CID 89443152) is 4-chloro-N-[3-fluoro-5-(quinoxaline-6-carbonyl)phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-chloro-N-[3-fluoro-5-(quinoxaline-6-carbonyl)phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-chloro-N-[3-fluoro-5-(quinoxaline-6-carbonyl)phenyl]-3-(trifluoromethyl)benzamide is O=C(Nc1cc(F)cc(C(=O)c2ccc3nccnc3c2)c1)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 4-chloro-N-[3-fluoro-5-(quinoxaline-6-carbonyl)phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is LPJYQXPENJBBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H12ClF4N3O2/c24-18-3-1-13(9-17(18)23(26,27)28)22(33)31-16-8-14(7-15(25)11-16)21(32)12-2-4-19-20(10-12)30-6-5-29-19/h1-11H,(H,31,33).
What are the key properties of 4-chloro-N-[3-fluoro-5-(quinoxaline-6-carbonyl)phenyl]-3-(trifluoromethyl)benzamide?
4-chloro-N-[3-fluoro-5-(quinoxaline-6-carbonyl)phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 473.81 g/mol, XLogP of 5.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-fluoro-5-(quinoxaline-6-carbonyl)phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 89443152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).