N-[3,4-difluoro-5-[3-(2-hydroxyethoxy)quinoline-6-carbonyl]phenyl]-3-fluorobenzamide

C25H17F3N2O4 — CID 90080128

IUPACN-[3,4-difluoro-5-[3-(2-hydroxyethoxy)quinoline-6-carbonyl]phenyl]-3-fluorobenzamide
SMILESO=C(Nc1cc(F)c(F)c(C(=O)c2ccc3ncc(OCCO)cc3c2)c1)c1cccc(F)c1
InChIInChI=1S/C25H17F3N2O4/c26-17-3-1-2-15(9-17)25(33)30-18-11-20(23(28)21(27)12-18)24(32)14-4-5-22-16(8-14)10-19(13-29-22)34-7-6-31/h1-5,8-13,31H,6-7H2,(H,30,33)
InChIKeyZUPPJJAZNDFVKT-UHFFFAOYSA-N
MW466.42 g/mol
LogP4.51
Rot. Bonds7

About N-[3,4-difluoro-5-[3-(2-hydroxyethoxy)quinoline-6-carbonyl]phenyl]-3-fluorobenzamide

N-[3,4-difluoro-5-[3-(2-hydroxyethoxy)quinoline-6-carbonyl]phenyl]-3-fluorobenzamide (PubChem CID 90080128) has the molecular formula C25H17F3N2O4 and a molecular weight of 466.42 g/mol. Its IUPAC name is N-[3,4-difluoro-5-[3-(2-hydroxyethoxy)quinoline-6-carbonyl]phenyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[3,4-difluoro-5-[3-(2-hydroxyethoxy)quinoline-6-carbonyl]phenyl]-3-fluorobenzamide
PubChem CID90080128
Molecular FormulaC25H17F3N2O4
Molecular Weight466.42 g/mol
Exact Mass466.11
IUPAC NameN-[3,4-difluoro-5-[3-(2-hydroxyethoxy)quinoline-6-carbonyl]phenyl]-3-fluorobenzamide
SMILESO=C(Nc1cc(F)c(F)c(C(=O)c2ccc3ncc(OCCO)cc3c2)c1)c1cccc(F)c1
InChIInChI=1S/C25H17F3N2O4/c26-17-3-1-2-15(9-17)25(33)30-18-11-20(23(28)21(27)12-18)24(32)14-4-5-22-16(8-14)10-19(13-29-22)34-7-6-31/h1-5,8-13,31H,6-7H2,(H,30,33)
InChIKeyZUPPJJAZNDFVKT-UHFFFAOYSA-N
XLogP4.51
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.42
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3,4-difluoro-5-[3-(1H-pyrazol-4-yl)quinoxaline-6-carbonyl]phenyl]-3-fluorobenzamide
CID 89445075
N-[3-(1,3-benzoxazole-6-carbonyl)-4,5-difluorophenyl]-3-fluorobenzamide
CID 90081311
3-fluoro-N-[2-fluoro-3-[3-(2-hydroxyethoxy)quinoxaline-6-carbonyl]phenyl]benzamide
CID 89443473
1-[3,4-difluoro-5-[3-(1H-pyrazol-4-yl)quinoline-6-carbonyl]phenyl]-3-(3-fluorophenyl)urea
CID 90083412
N-[3,4-difluoro-5-(2-morpholin-4-ylpyrido[3,4-b]pyrazine-7-carbonyl)phenyl]-3-fluorobenzamide
CID 90080006
3-fluoro-N-[3-fluoro-4-[3-(6-methyl-3-pyridinyl)quinoxaline-6-carbonyl]phenyl]benzamide
CID 90134664
3-fluoro-N-[3-fluoro-4-[3-(1-methylpyrazol-4-yl)quinoxaline-6-carbonyl]phenyl]benzamide
CID 90135466
3,4,5-trifluoro-N-[4-(2-hydroxyethoxy)phenyl]benzamide
CID 111116250
1-[2,5-difluoro-3-(3-pyridin-3-ylquinoline-6-carbonyl)phenyl]-3-(3-fluorophenyl)urea
CID 90080643
N-[3-[3-(2-aminoethoxy)quinoxaline-6-carbonyl]-4-chloro-2-fluorophenyl]-3-fluorobenzamide
CID 89443323
1-[3,4-difluoro-5-(3-imidazol-1-ylquinoxaline-6-carbonyl)phenyl]-3-(3-fluorophenyl)urea
CID 89445176
N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]-3-propoxybenzamide
CID 2268437

Frequently Asked Questions

What is the IUPAC name of N-[3,4-difluoro-5-[3-(2-hydroxyethoxy)quinoline-6-carbonyl]phenyl]-3-fluorobenzamide?
The IUPAC name of N-[3,4-difluoro-5-[3-(2-hydroxyethoxy)quinoline-6-carbonyl]phenyl]-3-fluorobenzamide (CID 90080128) is N-[3,4-difluoro-5-[3-(2-hydroxyethoxy)quinoline-6-carbonyl]phenyl]-3-fluorobenzamide.
What is the SMILES notation for N-[3,4-difluoro-5-[3-(2-hydroxyethoxy)quinoline-6-carbonyl]phenyl]-3-fluorobenzamide?
The canonical SMILES for N-[3,4-difluoro-5-[3-(2-hydroxyethoxy)quinoline-6-carbonyl]phenyl]-3-fluorobenzamide is O=C(Nc1cc(F)c(F)c(C(=O)c2ccc3ncc(OCCO)cc3c2)c1)c1cccc(F)c1.
What is the InChIKey of N-[3,4-difluoro-5-[3-(2-hydroxyethoxy)quinoline-6-carbonyl]phenyl]-3-fluorobenzamide?
The InChIKey is ZUPPJJAZNDFVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17F3N2O4/c26-17-3-1-2-15(9-17)25(33)30-18-11-20(23(28)21(27)12-18)24(32)14-4-5-22-16(8-14)10-19(13-29-22)34-7-6-31/h1-5,8-13,31H,6-7H2,(H,30,33).
What are the key properties of N-[3,4-difluoro-5-[3-(2-hydroxyethoxy)quinoline-6-carbonyl]phenyl]-3-fluorobenzamide?
N-[3,4-difluoro-5-[3-(2-hydroxyethoxy)quinoline-6-carbonyl]phenyl]-3-fluorobenzamide has a molecular weight of 466.42 g/mol, XLogP of 4.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-difluoro-5-[3-(2-hydroxyethoxy)quinoline-6-carbonyl]phenyl]-3-fluorobenzamide is sourced from PubChem (CID 90080128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).