1-(3-chloro-4-fluorophenyl)-3-[3-fluoro-5-(quinoxaline-6-carbonyl)phenyl]urea

C22H13ClF2N4O2 — CID 89443349

IUPAC1-(3-chloro-4-fluorophenyl)-3-[3-fluoro-5-(quinoxaline-6-carbonyl)phenyl]urea
SMILESO=C(Nc1cc(F)cc(C(=O)c2ccc3nccnc3c2)c1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C22H13ClF2N4O2/c23-17-11-15(2-3-18(17)25)28-22(31)29-16-8-13(7-14(24)10-16)21(30)12-1-4-19-20(9-12)27-6-5-26-19/h1-11H,(H2,28,29,31)
InChIKeyJPHQBYZNVFHQJL-UHFFFAOYSA-N
MW438.82 g/mol
LogP5.44
Rot. Bonds4

About 1-(3-chloro-4-fluorophenyl)-3-[3-fluoro-5-(quinoxaline-6-carbonyl)phenyl]urea

1-(3-chloro-4-fluorophenyl)-3-[3-fluoro-5-(quinoxaline-6-carbonyl)phenyl]urea (PubChem CID 89443349) has the molecular formula C22H13ClF2N4O2 and a molecular weight of 438.82 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-3-[3-fluoro-5-(quinoxaline-6-carbonyl)phenyl]urea.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-3-[3-fluoro-5-(quinoxaline-6-carbonyl)phenyl]urea
PubChem CID89443349
Molecular FormulaC22H13ClF2N4O2
Molecular Weight438.82 g/mol
Exact Mass438.07
IUPAC Name1-(3-chloro-4-fluorophenyl)-3-[3-fluoro-5-(quinoxaline-6-carbonyl)phenyl]urea
SMILESO=C(Nc1cc(F)cc(C(=O)c2ccc3nccnc3c2)c1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C22H13ClF2N4O2/c23-17-11-15(2-3-18(17)25)28-22(31)29-16-8-13(7-14(24)10-16)21(30)12-1-4-19-20(9-12)27-6-5-26-19/h1-11H,(H2,28,29,31)
InChIKeyJPHQBYZNVFHQJL-UHFFFAOYSA-N
XLogP5.44
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.82
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3-chloro-4-fluorophenyl)-3-[3-fluoro-5-(quinoxaline-6-carbonyl)phenyl]urea with MolForge

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Related Compounds

1-[3-fluoro-5-(quinoxaline-6-carbonyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 89443138
1-(4-chloro-3-fluorophenyl)-3-[4-(quinoxaline-6-carbonyl)phenyl]urea
CID 75203984
4-chloro-N-[3-fluoro-5-(quinoxaline-6-carbonyl)phenyl]-3-(trifluoromethyl)benzamide
CID 89443152
1-(3-fluorophenyl)-3-[4-fluoro-3-(quinoxaline-6-carbonyl)phenyl]urea
CID 71533206
1-(3-chlorophenyl)-3-[2-fluoro-4-(quinoxaline-6-carbonyl)phenyl]urea
CID 75203369
1-(3-fluorophenyl)-3-[3-fluoro-4-(quinoxaline-6-carbonyl)phenyl]urea
CID 75202979
1-(3-chloro-4-fluorophenyl)-3-[3-(3-imidazol-1-ylquinoxaline-6-carbonyl)phenyl]urea
CID 89445016
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2,4,5-trifluoro-3-(quinoxaline-6-carbonyl)phenyl]urea
CID 71532996
4-fluoro-N-[4-fluoro-3-(quinoxaline-6-carbonyl)phenyl]benzamide
CID 89443461
1-(3-chloro-4-fluorophenyl)-3-(3-fluorophenyl)urea
CID 108893983
N-[(3-chloro-4-hydroxyphenyl)carbamoyl]quinoxaline-6-carboxamide
CID 135486159
3-chloro-N-[3,5-difluoro-4-(quinoxaline-6-carbonyl)phenyl]benzamide
CID 75204110

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-[3-fluoro-5-(quinoxaline-6-carbonyl)phenyl]urea?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-[3-fluoro-5-(quinoxaline-6-carbonyl)phenyl]urea (CID 89443349) is 1-(3-chloro-4-fluorophenyl)-3-[3-fluoro-5-(quinoxaline-6-carbonyl)phenyl]urea.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-3-[3-fluoro-5-(quinoxaline-6-carbonyl)phenyl]urea?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-3-[3-fluoro-5-(quinoxaline-6-carbonyl)phenyl]urea is O=C(Nc1cc(F)cc(C(=O)c2ccc3nccnc3c2)c1)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-3-[3-fluoro-5-(quinoxaline-6-carbonyl)phenyl]urea?
The InChIKey is JPHQBYZNVFHQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13ClF2N4O2/c23-17-11-15(2-3-18(17)25)28-22(31)29-16-8-13(7-14(24)10-16)21(30)12-1-4-19-20(9-12)27-6-5-26-19/h1-11H,(H2,28,29,31).
What are the key properties of 1-(3-chloro-4-fluorophenyl)-3-[3-fluoro-5-(quinoxaline-6-carbonyl)phenyl]urea?
1-(3-chloro-4-fluorophenyl)-3-[3-fluoro-5-(quinoxaline-6-carbonyl)phenyl]urea has a molecular weight of 438.82 g/mol, XLogP of 5.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-3-[3-fluoro-5-(quinoxaline-6-carbonyl)phenyl]urea is sourced from PubChem (CID 89443349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).