3-chloro-5-[5-[3-[(5-chloro-2-fluorobenzoyl)amino]phenoxy]-2-pyridinyl]-2-fluoro-N-(3-pyridin-3-yloxyphenyl)benzamide

C36H22Cl2F2N4O4 — CID 123730188

IUPAC3-chloro-5-[5-[3-[(5-chloro-2-fluorobenzoyl)amino]phenoxy]-2-pyridinyl]-2-fluoro-N-(3-pyridin-3-yloxyphenyl)benzamide
SMILESO=C(Nc1cccc(Oc2ccc(-c3cc(Cl)c(F)c(C(=O)Nc4cccc(Oc5cccnc5)c4)c3)nc2)c1)c1cc(Cl)ccc1F
InChIInChI=1S/C36H22Cl2F2N4O4/c37-22-9-11-32(39)29(16-22)35(45)43-23-4-1-7-26(17-23)48-28-10-12-33(42-20-28)21-14-30(34(40)31(38)15-21)36(46)44-24-5-2-6-25(18-24)47-27-8-3-13-41-19-27/h1-20H,(H,43,45)(H,44,46)
InChIKeyJSLHPIDOPBWVEE-UHFFFAOYSA-N
MW683.50 g/mol
LogP9.82
Rot. Bonds9

About 3-chloro-5-[5-[3-[(5-chloro-2-fluorobenzoyl)amino]phenoxy]-2-pyridinyl]-2-fluoro-N-(3-pyridin-3-yloxyphenyl)benzamide

3-chloro-5-[5-[3-[(5-chloro-2-fluorobenzoyl)amino]phenoxy]-2-pyridinyl]-2-fluoro-N-(3-pyridin-3-yloxyphenyl)benzamide (PubChem CID 123730188) has the molecular formula C36H22Cl2F2N4O4 and a molecular weight of 683.50 g/mol. Its IUPAC name is 3-chloro-5-[5-[3-[(5-chloro-2-fluorobenzoyl)amino]phenoxy]-2-pyridinyl]-2-fluoro-N-(3-pyridin-3-yloxyphenyl)benzamide.

Molecular Properties

Compound Name3-chloro-5-[5-[3-[(5-chloro-2-fluorobenzoyl)amino]phenoxy]-2-pyridinyl]-2-fluoro-N-(3-pyridin-3-yloxyphenyl)benzamide
PubChem CID123730188
Molecular FormulaC36H22Cl2F2N4O4
Molecular Weight683.50 g/mol
Exact Mass682.10
IUPAC Name3-chloro-5-[5-[3-[(5-chloro-2-fluorobenzoyl)amino]phenoxy]-2-pyridinyl]-2-fluoro-N-(3-pyridin-3-yloxyphenyl)benzamide
SMILESO=C(Nc1cccc(Oc2ccc(-c3cc(Cl)c(F)c(C(=O)Nc4cccc(Oc5cccnc5)c4)c3)nc2)c1)c1cc(Cl)ccc1F
InChIInChI=1S/C36H22Cl2F2N4O4/c37-22-9-11-32(39)29(16-22)35(45)43-23-4-1-7-26(17-23)48-28-10-12-33(42-20-28)21-14-30(34(40)31(38)15-21)36(46)44-24-5-2-6-25(18-24)47-27-8-3-13-41-19-27/h1-20H,(H,43,45)(H,44,46)
InChIKeyJSLHPIDOPBWVEE-UHFFFAOYSA-N
XLogP9.82
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.50
LogP ≤ 59.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-amino-5-pyridin-3-yloxyphenyl)-3-chlorobenzamide
CID 811100
3-chloro-N-(3-pyridin-3-yloxyphenyl)benzamide
CID 58337765
N-[(1S)-1-(5-chloropyridin-2-yl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide
CID 58921211
4-fluoro-N-[3-pyridin-2-yl-5-(pyridin-3-yloxy)-phenyl]-benzamide
CID 10172758
4-fluoro-N-(3-pyrazin-2-yl-5-pyridin-3-yloxyphenyl)benzamide
CID 10309474
3-[6-(3,5-dichlorophenoxy)-2-pyridinyl]-N-(6-fluoro-3-pyridinyl)benzamide
CID 58103242
3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide
CID 58337430
5-chloro-2-fluoro-N-(3-pyridin-3-yloxyphenyl)benzamide
CID 58337433
N-(3-fluoro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide
CID 58337440
N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide
CID 58337447
4-fluoro-3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide
CID 58337454
N-(3-pyridin-3-yloxyphenyl)-3-(trifluoromethyl)benzamide
CID 58337574

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[5-[3-[(5-chloro-2-fluorobenzoyl)amino]phenoxy]-2-pyridinyl]-2-fluoro-N-(3-pyridin-3-yloxyphenyl)benzamide?
The IUPAC name of 3-chloro-5-[5-[3-[(5-chloro-2-fluorobenzoyl)amino]phenoxy]-2-pyridinyl]-2-fluoro-N-(3-pyridin-3-yloxyphenyl)benzamide (CID 123730188) is 3-chloro-5-[5-[3-[(5-chloro-2-fluorobenzoyl)amino]phenoxy]-2-pyridinyl]-2-fluoro-N-(3-pyridin-3-yloxyphenyl)benzamide.
What is the SMILES notation for 3-chloro-5-[5-[3-[(5-chloro-2-fluorobenzoyl)amino]phenoxy]-2-pyridinyl]-2-fluoro-N-(3-pyridin-3-yloxyphenyl)benzamide?
The canonical SMILES for 3-chloro-5-[5-[3-[(5-chloro-2-fluorobenzoyl)amino]phenoxy]-2-pyridinyl]-2-fluoro-N-(3-pyridin-3-yloxyphenyl)benzamide is O=C(Nc1cccc(Oc2ccc(-c3cc(Cl)c(F)c(C(=O)Nc4cccc(Oc5cccnc5)c4)c3)nc2)c1)c1cc(Cl)ccc1F.
What is the InChIKey of 3-chloro-5-[5-[3-[(5-chloro-2-fluorobenzoyl)amino]phenoxy]-2-pyridinyl]-2-fluoro-N-(3-pyridin-3-yloxyphenyl)benzamide?
The InChIKey is JSLHPIDOPBWVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22Cl2F2N4O4/c37-22-9-11-32(39)29(16-22)35(45)43-23-4-1-7-26(17-23)48-28-10-12-33(42-20-28)21-14-30(34(40)31(38)15-21)36(46)44-24-5-2-6-25(18-24)47-27-8-3-13-41-19-27/h1-20H,(H,43,45)(H,44,46).
What are the key properties of 3-chloro-5-[5-[3-[(5-chloro-2-fluorobenzoyl)amino]phenoxy]-2-pyridinyl]-2-fluoro-N-(3-pyridin-3-yloxyphenyl)benzamide?
3-chloro-5-[5-[3-[(5-chloro-2-fluorobenzoyl)amino]phenoxy]-2-pyridinyl]-2-fluoro-N-(3-pyridin-3-yloxyphenyl)benzamide has a molecular weight of 683.50 g/mol, XLogP of 9.82, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[5-[3-[(5-chloro-2-fluorobenzoyl)amino]phenoxy]-2-pyridinyl]-2-fluoro-N-(3-pyridin-3-yloxyphenyl)benzamide is sourced from PubChem (CID 123730188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).