3-chloro-N-[2-fluoro-3-(3-methoxyquinoxaline-6-carbonyl)phenyl]benzamide

C23H15ClFN3O3 — CID 89443756

IUPAC3-chloro-N-[2-fluoro-3-(3-methoxyquinoxaline-6-carbonyl)phenyl]benzamide
SMILESCOc1cnc2ccc(C(=O)c3cccc(NC(=O)c4cccc(Cl)c4)c3F)cc2n1
InChIInChI=1S/C23H15ClFN3O3/c1-31-20-12-26-17-9-8-13(11-19(17)27-20)22(29)16-6-3-7-18(21(16)25)28-23(30)14-4-2-5-15(24)10-14/h2-12H,1H3,(H,28,30)
InChIKeyODCHMHHSWUIHFY-UHFFFAOYSA-N
MW435.84 g/mol
LogP4.91
Rot. Bonds5

About 3-chloro-N-[2-fluoro-3-(3-methoxyquinoxaline-6-carbonyl)phenyl]benzamide

3-chloro-N-[2-fluoro-3-(3-methoxyquinoxaline-6-carbonyl)phenyl]benzamide (PubChem CID 89443756) has the molecular formula C23H15ClFN3O3 and a molecular weight of 435.84 g/mol. Its IUPAC name is 3-chloro-N-[2-fluoro-3-(3-methoxyquinoxaline-6-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-fluoro-3-(3-methoxyquinoxaline-6-carbonyl)phenyl]benzamide
PubChem CID89443756
Molecular FormulaC23H15ClFN3O3
Molecular Weight435.84 g/mol
Exact Mass435.08
IUPAC Name3-chloro-N-[2-fluoro-3-(3-methoxyquinoxaline-6-carbonyl)phenyl]benzamide
SMILESCOc1cnc2ccc(C(=O)c3cccc(NC(=O)c4cccc(Cl)c4)c3F)cc2n1
InChIInChI=1S/C23H15ClFN3O3/c1-31-20-12-26-17-9-8-13(11-19(17)27-20)22(29)16-6-3-7-18(21(16)25)28-23(30)14-4-2-5-15(24)10-14/h2-12H,1H3,(H,28,30)
InChIKeyODCHMHHSWUIHFY-UHFFFAOYSA-N
XLogP4.91
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.84
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-N-[2-fluoro-3-[3-(2-hydroxyethoxy)quinoxaline-6-carbonyl]phenyl]benzamide
CID 89443473
3-chloro-N-[2,4-difluoro-3-[3-(2-methoxyethoxy)quinoxaline-6-carbonyl]phenyl]-2-(trifluoromethyl)benzamide
CID 151533168
1-[4-chloro-2-fluoro-3-(3-methoxyquinoxaline-6-carbonyl)phenyl]-3-(3-fluorophenyl)urea
CID 89443389
3,4-difluoro-N-[2-fluoro-3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide
CID 89443742
N-[3-[3-(2-aminoethoxy)quinoxaline-6-carbonyl]-4-chloro-2-fluorophenyl]-3-fluorobenzamide
CID 89443323
3-chloro-N-[3,5-difluoro-4-(quinoxaline-6-carbonyl)phenyl]benzamide
CID 75204110
1-[2,4-difluoro-3-[3-(2-methoxyethoxy)quinoxaline-6-carbonyl]phenyl]-3-(3-fluorophenyl)urea
CID 89443748
(3-chlorophenyl)-(2-fluoro-3-methylphenyl)methanone
CID 114964168
3-chloro-N-(4-fluoro-2-methoxyphenyl)benzamide
CID 32608919
2-[(3-chlorobenzoyl)amino]-4,5-dimethoxybenzoic acid
CID 16777026
1-(4-chloro-3-fluorophenyl)-3-[2-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]urea
CID 89443365
N-(2-chloro-4,5-dimethoxyphenyl)quinoxaline-6-carboxamide
CID 17443015

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-fluoro-3-(3-methoxyquinoxaline-6-carbonyl)phenyl]benzamide?
The IUPAC name of 3-chloro-N-[2-fluoro-3-(3-methoxyquinoxaline-6-carbonyl)phenyl]benzamide (CID 89443756) is 3-chloro-N-[2-fluoro-3-(3-methoxyquinoxaline-6-carbonyl)phenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-fluoro-3-(3-methoxyquinoxaline-6-carbonyl)phenyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-fluoro-3-(3-methoxyquinoxaline-6-carbonyl)phenyl]benzamide is COc1cnc2ccc(C(=O)c3cccc(NC(=O)c4cccc(Cl)c4)c3F)cc2n1.
What is the InChIKey of 3-chloro-N-[2-fluoro-3-(3-methoxyquinoxaline-6-carbonyl)phenyl]benzamide?
The InChIKey is ODCHMHHSWUIHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClFN3O3/c1-31-20-12-26-17-9-8-13(11-19(17)27-20)22(29)16-6-3-7-18(21(16)25)28-23(30)14-4-2-5-15(24)10-14/h2-12H,1H3,(H,28,30).
What are the key properties of 3-chloro-N-[2-fluoro-3-(3-methoxyquinoxaline-6-carbonyl)phenyl]benzamide?
3-chloro-N-[2-fluoro-3-(3-methoxyquinoxaline-6-carbonyl)phenyl]benzamide has a molecular weight of 435.84 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-fluoro-3-(3-methoxyquinoxaline-6-carbonyl)phenyl]benzamide is sourced from PubChem (CID 89443756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).