3-chloro-N-[3,5-difluoro-4-(quinoxaline-6-carbonyl)phenyl]benzamide

C22H12ClF2N3O2 — CID 75204110

IUPAC3-chloro-N-[3,5-difluoro-4-(quinoxaline-6-carbonyl)phenyl]benzamide
SMILESO=C(Nc1cc(F)c(C(=O)c2ccc3nccnc3c2)c(F)c1)c1cccc(Cl)c1
InChIInChI=1S/C22H12ClF2N3O2/c23-14-3-1-2-13(8-14)22(30)28-15-10-16(24)20(17(25)11-15)21(29)12-4-5-18-19(9-12)27-7-6-26-18/h1-11H,(H,28,30)
InChIKeySKSAECJEUBUELP-UHFFFAOYSA-N
MW423.81 g/mol
LogP5.04
Rot. Bonds4

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

3-chloro-N-[3,5-difluoro-4-(quinoxaline-6-carbonyl)phenyl]benzamide (PubChem CID 75204110) has the molecular formula C22H12ClF2N3O2 and a molecular weight of 423.81 g/mol. Its IUPAC name is 3-chloro-N-[3,5-difluoro-4-(quinoxaline-6-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[3,5-difluoro-4-(quinoxaline-6-carbonyl)phenyl]benzamide
PubChem CID75204110
Molecular FormulaC22H12ClF2N3O2
Molecular Weight423.81 g/mol
Exact Mass423.06
IUPAC Name3-chloro-N-[3,5-difluoro-4-(quinoxaline-6-carbonyl)phenyl]benzamide
SMILESO=C(Nc1cc(F)c(C(=O)c2ccc3nccnc3c2)c(F)c1)c1cccc(Cl)c1
InChIInChI=1S/C22H12ClF2N3O2/c23-14-3-1-2-13(8-14)22(30)28-15-10-16(24)20(17(25)11-15)21(29)12-4-5-18-19(9-12)27-7-6-26-18/h1-11H,(H,28,30)
InChIKeySKSAECJEUBUELP-UHFFFAOYSA-N
XLogP5.04
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.81
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-3-[2-fluoro-4-(quinoxaline-6-carbonyl)phenyl]urea
CID 75203369
4-fluoro-N-[4-fluoro-3-(quinoxaline-6-carbonyl)phenyl]benzamide
CID 89443461
4-chloro-N-[3-fluoro-5-(quinoxaline-6-carbonyl)phenyl]-3-(trifluoromethyl)benzamide
CID 89443152
3-chloro-N-pyridin-4-ylbenzamide
CID 849128
1-(4-chloro-3-fluorophenyl)-3-[4-(quinoxaline-6-carbonyl)phenyl]urea
CID 75203984
3-chloro-N-[4-(quinoxaline-6-carbonyl)phenyl]-4-(trifluoromethyl)benzamide
CID 75203737
3-chloro-N-[3-[(3-chlorobenzoyl)amino]phenyl]benzamide
CID 1369981
1-(3-chloro-4-fluorophenyl)-3-[3-fluoro-5-(quinoxaline-6-carbonyl)phenyl]urea
CID 89443349
3-chloro-N-(5-fluoro-3-pyridinyl)benzamide
CID 110872324
N-(3-chlorophenyl)-3H-benzimidazole-5-carboxamide
CID 18847548
2-chloro-N-[3-(quinoxaline-6-carbonyl)phenyl]-5-(trifluoromethyl)benzamide
CID 71533154
1-(3-fluorophenyl)-3-[3-fluoro-4-(quinoxaline-6-carbonyl)phenyl]urea
CID 75202979

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3,5-difluoro-4-(quinoxaline-6-carbonyl)phenyl]benzamide?
The IUPAC name of 3-chloro-N-[3,5-difluoro-4-(quinoxaline-6-carbonyl)phenyl]benzamide (CID 75204110) is 3-chloro-N-[3,5-difluoro-4-(quinoxaline-6-carbonyl)phenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[3,5-difluoro-4-(quinoxaline-6-carbonyl)phenyl]benzamide?
The canonical SMILES for 3-chloro-N-[3,5-difluoro-4-(quinoxaline-6-carbonyl)phenyl]benzamide is O=C(Nc1cc(F)c(C(=O)c2ccc3nccnc3c2)c(F)c1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[3,5-difluoro-4-(quinoxaline-6-carbonyl)phenyl]benzamide?
The InChIKey is SKSAECJEUBUELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12ClF2N3O2/c23-14-3-1-2-13(8-14)22(30)28-15-10-16(24)20(17(25)11-15)21(29)12-4-5-18-19(9-12)27-7-6-26-18/h1-11H,(H,28,30).
What are the key properties of 3-chloro-N-[3,5-difluoro-4-(quinoxaline-6-carbonyl)phenyl]benzamide?
3-chloro-N-[3,5-difluoro-4-(quinoxaline-6-carbonyl)phenyl]benzamide has a molecular weight of 423.81 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3,5-difluoro-4-(quinoxaline-6-carbonyl)phenyl]benzamide is sourced from PubChem (CID 75204110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).