3-chloro-N-[3,5-difluoro-4-(3-piperazin-1-ylquinoxalin-6-yl)oxyphenyl]benzamide;N-[3,5-difluoro-4-(3-piperazin-1-ylquinoxalin-6-yl)oxyphenyl]-3-fluorobenzamide

C50H40ClF5N10O4 — CID 158536189

IUPAC3-chloro-N-[3,5-difluoro-4-(3-piperazin-1-ylquinoxalin-6-yl)oxyphenyl]benzamide;N-[3,5-difluoro-4-(3-piperazin-1-ylquinoxalin-6-yl)oxyphenyl]-3-fluorobenzamide
SMILESO=C(Nc1cc(F)c(Oc2ccc3ncc(N4CCNCC4)nc3c2)c(F)c1)c1cccc(Cl)c1.O=C(Nc1cc(F)c(Oc2ccc3ncc(N4CCNCC4)nc3c2)c(F)c1)c1cccc(F)c1
InChIInChI=1S/C25H20ClF2N5O2.C25H20F3N5O2/c2*26-16-3-1-2-15(10-16)25(34)31-17-11-19(27)24(20(28)12-17)35-18-4-5-21-22(13-18)32-23(14-30-21)33-8-6-29-7-9-33/h2*1-5,10-14,29H,6-9H2,(H,31,34)
InChIKeyHNYWMOJAADQFDH-UHFFFAOYSA-N
MW975.38 g/mol
LogP9.52
Rot. Bonds10

About 3-chloro-N-[3,5-difluoro-4-(3-piperazin-1-ylquinoxalin-6-yl)oxyphenyl]benzamide;N-[3,5-difluoro-4-(3-piperazin-1-ylquinoxalin-6-yl)oxyphenyl]-3-fluorobenzamide

3-chloro-N-[3,5-difluoro-4-(3-piperazin-1-ylquinoxalin-6-yl)oxyphenyl]benzamide;N-[3,5-difluoro-4-(3-piperazin-1-ylquinoxalin-6-yl)oxyphenyl]-3-fluorobenzamide (PubChem CID 158536189) has the molecular formula C50H40ClF5N10O4 and a molecular weight of 975.38 g/mol. Its IUPAC name is 3-chloro-N-[3,5-difluoro-4-(3-piperazin-1-ylquinoxalin-6-yl)oxyphenyl]benzamide;N-[3,5-difluoro-4-(3-piperazin-1-ylquinoxalin-6-yl)oxyphenyl]-3-fluorobenzamide.

Molecular Properties

Compound Name3-chloro-N-[3,5-difluoro-4-(3-piperazin-1-ylquinoxalin-6-yl)oxyphenyl]benzamide;N-[3,5-difluoro-4-(3-piperazin-1-ylquinoxalin-6-yl)oxyphenyl]-3-fluorobenzamide
PubChem CID158536189
Molecular FormulaC50H40ClF5N10O4
Molecular Weight975.38 g/mol
Exact Mass974.28
IUPAC Name3-chloro-N-[3,5-difluoro-4-(3-piperazin-1-ylquinoxalin-6-yl)oxyphenyl]benzamide;N-[3,5-difluoro-4-(3-piperazin-1-ylquinoxalin-6-yl)oxyphenyl]-3-fluorobenzamide
SMILESO=C(Nc1cc(F)c(Oc2ccc3ncc(N4CCNCC4)nc3c2)c(F)c1)c1cccc(Cl)c1.O=C(Nc1cc(F)c(Oc2ccc3ncc(N4CCNCC4)nc3c2)c(F)c1)c1cccc(F)c1
InChIInChI=1S/C25H20ClF2N5O2.C25H20F3N5O2/c2*26-16-3-1-2-15(10-16)25(34)31-17-11-19(27)24(20(28)12-17)35-18-4-5-21-22(13-18)32-23(14-30-21)33-8-6-29-7-9-33/h2*1-5,10-14,29H,6-9H2,(H,31,34)
InChIKeyHNYWMOJAADQFDH-UHFFFAOYSA-N
XLogP9.52
TPSA158.76 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500975.38
LogP ≤ 59.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 3-chloro-N-[3,5-difluoro-4-(3-piperazin-1-ylquinoxalin-6-yl)oxyphenyl]benzamide;N-[3,5-difluoro-4-(3-piperazin-1-ylquinoxalin-6-yl)oxyphenyl]-3-fluorobenzamide with MolForge

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Related Compounds

N-[2,4-difluoro-3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]-3-fluorobenzamide
CID 89444097
1-(3-chlorophenyl)-3-[3,4-difluoro-5-(3-pyrrolidin-1-ylquinoxalin-6-yl)oxyphenyl]urea
CID 71679172
4-fluoro-N-[4-fluoro-3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide
CID 89443751
N-[4-fluoro-3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide
CID 172754016
3,4-difluoro-N-[2-fluoro-3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide
CID 89443742
N-[3,4-difluoro-5-(2-morpholin-4-ylpyrido[3,4-b]pyrazine-7-carbonyl)phenyl]-3-fluorobenzamide
CID 90080006
1-(4-fluorophenyl)-3-[3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]urea
CID 89443737
3-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide
CID 119494063
3-chloro-N-[3,4-difluoro-5-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-4-fluorobenzamide
CID 89445214
4-chloro-3-fluoro-N-[3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]benzamide
CID 89445010
(2,3-difluoro-5-hydroxyphenyl)-(3-piperazin-1-ylquinoxalin-6-yl)methanone
CID 71547456
6-[(3-chlorobenzoyl)amino]-2-(4-ethylpiperazin-1-yl)quinoline-4-carboxylic acid
CID 50784144

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3,5-difluoro-4-(3-piperazin-1-ylquinoxalin-6-yl)oxyphenyl]benzamide;N-[3,5-difluoro-4-(3-piperazin-1-ylquinoxalin-6-yl)oxyphenyl]-3-fluorobenzamide?
The IUPAC name of 3-chloro-N-[3,5-difluoro-4-(3-piperazin-1-ylquinoxalin-6-yl)oxyphenyl]benzamide;N-[3,5-difluoro-4-(3-piperazin-1-ylquinoxalin-6-yl)oxyphenyl]-3-fluorobenzamide (CID 158536189) is 3-chloro-N-[3,5-difluoro-4-(3-piperazin-1-ylquinoxalin-6-yl)oxyphenyl]benzamide;N-[3,5-difluoro-4-(3-piperazin-1-ylquinoxalin-6-yl)oxyphenyl]-3-fluorobenzamide.
What is the SMILES notation for 3-chloro-N-[3,5-difluoro-4-(3-piperazin-1-ylquinoxalin-6-yl)oxyphenyl]benzamide;N-[3,5-difluoro-4-(3-piperazin-1-ylquinoxalin-6-yl)oxyphenyl]-3-fluorobenzamide?
The canonical SMILES for 3-chloro-N-[3,5-difluoro-4-(3-piperazin-1-ylquinoxalin-6-yl)oxyphenyl]benzamide;N-[3,5-difluoro-4-(3-piperazin-1-ylquinoxalin-6-yl)oxyphenyl]-3-fluorobenzamide is O=C(Nc1cc(F)c(Oc2ccc3ncc(N4CCNCC4)nc3c2)c(F)c1)c1cccc(Cl)c1.O=C(Nc1cc(F)c(Oc2ccc3ncc(N4CCNCC4)nc3c2)c(F)c1)c1cccc(F)c1.
What is the InChIKey of 3-chloro-N-[3,5-difluoro-4-(3-piperazin-1-ylquinoxalin-6-yl)oxyphenyl]benzamide;N-[3,5-difluoro-4-(3-piperazin-1-ylquinoxalin-6-yl)oxyphenyl]-3-fluorobenzamide?
The InChIKey is HNYWMOJAADQFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClF2N5O2.C25H20F3N5O2/c2*26-16-3-1-2-15(10-16)25(34)31-17-11-19(27)24(20(28)12-17)35-18-4-5-21-22(13-18)32-23(14-30-21)33-8-6-29-7-9-33/h2*1-5,10-14,29H,6-9H2,(H,31,34).
What are the key properties of 3-chloro-N-[3,5-difluoro-4-(3-piperazin-1-ylquinoxalin-6-yl)oxyphenyl]benzamide;N-[3,5-difluoro-4-(3-piperazin-1-ylquinoxalin-6-yl)oxyphenyl]-3-fluorobenzamide?
3-chloro-N-[3,5-difluoro-4-(3-piperazin-1-ylquinoxalin-6-yl)oxyphenyl]benzamide;N-[3,5-difluoro-4-(3-piperazin-1-ylquinoxalin-6-yl)oxyphenyl]-3-fluorobenzamide has a molecular weight of 975.38 g/mol, XLogP of 9.52, 10 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3,5-difluoro-4-(3-piperazin-1-ylquinoxalin-6-yl)oxyphenyl]benzamide;N-[3,5-difluoro-4-(3-piperazin-1-ylquinoxalin-6-yl)oxyphenyl]-3-fluorobenzamide is sourced from PubChem (CID 158536189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).