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

C23H13ClF3N3O2 — CID 75203737

IUPAC3-chloro-N-[4-(quinoxaline-6-carbonyl)phenyl]-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(C(=O)c2ccc3nccnc3c2)cc1)c1ccc(C(F)(F)F)c(Cl)c1
InChIInChI=1S/C23H13ClF3N3O2/c24-18-11-15(3-7-17(18)23(25,26)27)22(32)30-16-5-1-13(2-6-16)21(31)14-4-8-19-20(12-14)29-10-9-28-19/h1-12H,(H,30,32)
InChIKeyUIBXUWARQVAYMH-UHFFFAOYSA-N
MW455.82 g/mol
LogP5.79
Rot. Bonds4

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

3-chloro-N-[4-(quinoxaline-6-carbonyl)phenyl]-4-(trifluoromethyl)benzamide (PubChem CID 75203737) has the molecular formula C23H13ClF3N3O2 and a molecular weight of 455.82 g/mol. Its IUPAC name is 3-chloro-N-[4-(quinoxaline-6-carbonyl)phenyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-chloro-N-[4-(quinoxaline-6-carbonyl)phenyl]-4-(trifluoromethyl)benzamide
PubChem CID75203737
Molecular FormulaC23H13ClF3N3O2
Molecular Weight455.82 g/mol
Exact Mass455.06
IUPAC Name3-chloro-N-[4-(quinoxaline-6-carbonyl)phenyl]-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(C(=O)c2ccc3nccnc3c2)cc1)c1ccc(C(F)(F)F)c(Cl)c1
InChIInChI=1S/C23H13ClF3N3O2/c24-18-11-15(3-7-17(18)23(25,26)27)22(32)30-16-5-1-13(2-6-16)21(31)14-4-8-19-20(12-14)29-10-9-28-19/h1-12H,(H,30,32)
InChIKeyUIBXUWARQVAYMH-UHFFFAOYSA-N
XLogP5.79
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.82
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[3-fluoro-5-(quinoxaline-6-carbonyl)phenyl]-3-(trifluoromethyl)benzamide
CID 89443152
N-[3-chloro-4-(trifluoromethyl)phenyl]quinoline-7-carboxamide
CID 162607907
1-(4-chloro-3-fluorophenyl)-3-[4-(quinoxaline-6-carbonyl)phenyl]urea
CID 75203984
N-[4-chloro-3-(trifluoromethyl)phenyl]quinoline-7-carboxamide
CID 142343699
N-[3-(quinoxaline-6-carbonyl)phenyl]-2,5-bis(trifluoromethyl)benzamide
CID 129303111
2-chloro-N-[3-(quinoxaline-6-carbonyl)phenyl]-5-(trifluoromethyl)benzamide
CID 71533154
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2,4,5-trifluoro-3-(quinoxaline-6-carbonyl)phenyl]urea
CID 71532996
N-(3-chloro-4-methoxyphenyl)quinoxaline-6-carboxamide
CID 110690558
3-chloro-N-[3,5-difluoro-4-(quinoxaline-6-carbonyl)phenyl]benzamide
CID 75204110
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-fluoropyridine-4-carboxamide
CID 61295455
1-[3-fluoro-5-(quinoxaline-6-carbonyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 89443138
4-chloro-N-(4-ethylphenyl)-3-(trifluoromethyl)benzamide
CID 143174015

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-(quinoxaline-6-carbonyl)phenyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of 3-chloro-N-[4-(quinoxaline-6-carbonyl)phenyl]-4-(trifluoromethyl)benzamide (CID 75203737) is 3-chloro-N-[4-(quinoxaline-6-carbonyl)phenyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-chloro-N-[4-(quinoxaline-6-carbonyl)phenyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for 3-chloro-N-[4-(quinoxaline-6-carbonyl)phenyl]-4-(trifluoromethyl)benzamide is O=C(Nc1ccc(C(=O)c2ccc3nccnc3c2)cc1)c1ccc(C(F)(F)F)c(Cl)c1.
What is the InChIKey of 3-chloro-N-[4-(quinoxaline-6-carbonyl)phenyl]-4-(trifluoromethyl)benzamide?
The InChIKey is UIBXUWARQVAYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13ClF3N3O2/c24-18-11-15(3-7-17(18)23(25,26)27)22(32)30-16-5-1-13(2-6-16)21(31)14-4-8-19-20(12-14)29-10-9-28-19/h1-12H,(H,30,32).
What are the key properties of 3-chloro-N-[4-(quinoxaline-6-carbonyl)phenyl]-4-(trifluoromethyl)benzamide?
3-chloro-N-[4-(quinoxaline-6-carbonyl)phenyl]-4-(trifluoromethyl)benzamide has a molecular weight of 455.82 g/mol, XLogP of 5.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-(quinoxaline-6-carbonyl)phenyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 75203737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).