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

C23H13ClF3N3O2 — CID 71533154

IUPAC2-chloro-N-[3-(quinoxaline-6-carbonyl)phenyl]-5-(trifluoromethyl)benzamide
SMILESO=C(c1cccc(NC(=O)c2cc(C(F)(F)F)ccc2Cl)c1)c1ccc2nccnc2c1
InChIInChI=1S/C23H13ClF3N3O2/c24-18-6-5-15(23(25,26)27)12-17(18)22(32)30-16-3-1-2-13(10-16)21(31)14-4-7-19-20(11-14)29-9-8-28-19/h1-12H,(H,30,32)
InChIKeyOLVZQUYXZNQCGA-UHFFFAOYSA-N
MW455.82 g/mol
LogP5.79
Rot. Bonds4

About 2-chloro-N-[3-(quinoxaline-6-carbonyl)phenyl]-5-(trifluoromethyl)benzamide

2-chloro-N-[3-(quinoxaline-6-carbonyl)phenyl]-5-(trifluoromethyl)benzamide (PubChem CID 71533154) has the molecular formula C23H13ClF3N3O2 and a molecular weight of 455.82 g/mol. Its IUPAC name is 2-chloro-N-[3-(quinoxaline-6-carbonyl)phenyl]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-(quinoxaline-6-carbonyl)phenyl]-5-(trifluoromethyl)benzamide
PubChem CID71533154
Molecular FormulaC23H13ClF3N3O2
Molecular Weight455.82 g/mol
Exact Mass455.06
IUPAC Name2-chloro-N-[3-(quinoxaline-6-carbonyl)phenyl]-5-(trifluoromethyl)benzamide
SMILESO=C(c1cccc(NC(=O)c2cc(C(F)(F)F)ccc2Cl)c1)c1ccc2nccnc2c1
InChIInChI=1S/C23H13ClF3N3O2/c24-18-6-5-15(23(25,26)27)12-17(18)22(32)30-16-3-1-2-13(10-16)21(31)14-4-7-19-20(11-14)29-9-8-28-19/h1-12H,(H,30,32)
InChIKeyOLVZQUYXZNQCGA-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

N-[3-(quinoxaline-6-carbonyl)phenyl]-2,5-bis(trifluoromethyl)benzamide
CID 129303111
4-chloro-N-[3-fluoro-5-(quinoxaline-6-carbonyl)phenyl]-3-(trifluoromethyl)benzamide
CID 89443152
3-chloro-N-[4-(quinoxaline-6-carbonyl)phenyl]-4-(trifluoromethyl)benzamide
CID 75203737
2-chloro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 3609395
2-amino-5-chloro-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 114921483
5-amino-2-chloro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 28543225
1-[3-fluoro-5-(quinoxaline-6-carbonyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 89443138
3-[[4-(trifluoromethyl)benzoyl]amino]benzoyl chloride
CID 23150017
1-(4-chloro-3-fluorophenyl)-3-[4-(quinoxaline-6-carbonyl)phenyl]urea
CID 75203984
2-chloro-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 24961098
N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]-3-(trifluoromethyl)benzamide
CID 126224742
N-(3-acetylphenyl)-4-(trifluoromethyl)benzamide
CID 7770720

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(quinoxaline-6-carbonyl)phenyl]-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-chloro-N-[3-(quinoxaline-6-carbonyl)phenyl]-5-(trifluoromethyl)benzamide (CID 71533154) is 2-chloro-N-[3-(quinoxaline-6-carbonyl)phenyl]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-chloro-N-[3-(quinoxaline-6-carbonyl)phenyl]-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-chloro-N-[3-(quinoxaline-6-carbonyl)phenyl]-5-(trifluoromethyl)benzamide is O=C(c1cccc(NC(=O)c2cc(C(F)(F)F)ccc2Cl)c1)c1ccc2nccnc2c1.
What is the InChIKey of 2-chloro-N-[3-(quinoxaline-6-carbonyl)phenyl]-5-(trifluoromethyl)benzamide?
The InChIKey is OLVZQUYXZNQCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13ClF3N3O2/c24-18-6-5-15(23(25,26)27)12-17(18)22(32)30-16-3-1-2-13(10-16)21(31)14-4-7-19-20(11-14)29-9-8-28-19/h1-12H,(H,30,32).
What are the key properties of 2-chloro-N-[3-(quinoxaline-6-carbonyl)phenyl]-5-(trifluoromethyl)benzamide?
2-chloro-N-[3-(quinoxaline-6-carbonyl)phenyl]-5-(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 2-chloro-N-[3-(quinoxaline-6-carbonyl)phenyl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 71533154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).