3-fluoro-N-[4-[3-[4-[(3-fluorobenzoyl)amino]phenoxy]phenoxy]phenyl]benzamide

C32H22F2N2O4 — CID 3108222

IUPAC3-fluoro-N-[4-[3-[4-[(3-fluorobenzoyl)amino]phenoxy]phenoxy]phenyl]benzamide
SMILESO=C(Nc1ccc(Oc2cccc(Oc3ccc(NC(=O)c4cccc(F)c4)cc3)c2)cc1)c1cccc(F)c1
InChIInChI=1S/C32H22F2N2O4/c33-23-6-1-4-21(18-23)31(37)35-25-10-14-27(15-11-25)39-29-8-3-9-30(20-29)40-28-16-12-26(13-17-28)36-32(38)22-5-2-7-24(34)19-22/h1-20H,(H,35,37)(H,36,38)
InChIKeyOZFOTYYUVZCAOF-UHFFFAOYSA-N
MW536.53 g/mol
LogP8.05
Rot. Bonds8

About 3-fluoro-N-[4-[3-[4-[(3-fluorobenzoyl)amino]phenoxy]phenoxy]phenyl]benzamide

3-fluoro-N-[4-[3-[4-[(3-fluorobenzoyl)amino]phenoxy]phenoxy]phenyl]benzamide (PubChem CID 3108222) has the molecular formula C32H22F2N2O4 and a molecular weight of 536.53 g/mol. Its IUPAC name is 3-fluoro-N-[4-[3-[4-[(3-fluorobenzoyl)amino]phenoxy]phenoxy]phenyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[4-[3-[4-[(3-fluorobenzoyl)amino]phenoxy]phenoxy]phenyl]benzamide
PubChem CID3108222
Molecular FormulaC32H22F2N2O4
Molecular Weight536.53 g/mol
Exact Mass536.15
IUPAC Name3-fluoro-N-[4-[3-[4-[(3-fluorobenzoyl)amino]phenoxy]phenoxy]phenyl]benzamide
SMILESO=C(Nc1ccc(Oc2cccc(Oc3ccc(NC(=O)c4cccc(F)c4)cc3)c2)cc1)c1cccc(F)c1
InChIInChI=1S/C32H22F2N2O4/c33-23-6-1-4-21(18-23)31(37)35-25-10-14-27(15-11-25)39-29-8-3-9-30(20-29)40-28-16-12-26(13-17-28)36-32(38)22-5-2-7-24(34)19-22/h1-20H,(H,35,37)(H,36,38)
InChIKeyOZFOTYYUVZCAOF-UHFFFAOYSA-N
XLogP8.05
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.53
LogP ≤ 58.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,3-N-bis(4-phenoxyphenyl)benzene-1,3-dicarboxamide
CID 3090014
4-tert-butyl-N-[4-(3-fluorophenoxy)phenyl]benzamide
CID 142594929
N-[4-(3-fluorophenoxy)phenyl]-4-methylsulfinylbenzamide
CID 55978837
N-[4-(3-fluorophenoxy)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 60538527
4-fluoro-N-[4-(3-methylphenoxy)phenyl]benzamide
CID 2114068
N-(4-acetamidophenyl)-3-phenoxybenzamide
CID 2483771
N-(4-phenoxyphenyl)-3-phenylbenzamide
CID 117089120
N-[4-[3-[4-(pyridine-4-carbonylamino)phenoxy]phenoxy]phenyl]pyridine-4-carboxamide
CID 1376699
3-fluoro-N-[4-(hydroxycarbamoyl)phenyl]benzamide
CID 90480202
N-(3-fluorophenyl)-4-(3-methylphenoxy)benzamide
CID 16650951
3-fluoro-N-[4-(3-methoxyanilino)phenyl]benzamide
CID 112987423
N-(4-bromophenyl)-3-phenoxybenzamide
CID 1318843

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[4-[3-[4-[(3-fluorobenzoyl)amino]phenoxy]phenoxy]phenyl]benzamide?
The IUPAC name of 3-fluoro-N-[4-[3-[4-[(3-fluorobenzoyl)amino]phenoxy]phenoxy]phenyl]benzamide (CID 3108222) is 3-fluoro-N-[4-[3-[4-[(3-fluorobenzoyl)amino]phenoxy]phenoxy]phenyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[4-[3-[4-[(3-fluorobenzoyl)amino]phenoxy]phenoxy]phenyl]benzamide?
The canonical SMILES for 3-fluoro-N-[4-[3-[4-[(3-fluorobenzoyl)amino]phenoxy]phenoxy]phenyl]benzamide is O=C(Nc1ccc(Oc2cccc(Oc3ccc(NC(=O)c4cccc(F)c4)cc3)c2)cc1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[4-[3-[4-[(3-fluorobenzoyl)amino]phenoxy]phenoxy]phenyl]benzamide?
The InChIKey is OZFOTYYUVZCAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22F2N2O4/c33-23-6-1-4-21(18-23)31(37)35-25-10-14-27(15-11-25)39-29-8-3-9-30(20-29)40-28-16-12-26(13-17-28)36-32(38)22-5-2-7-24(34)19-22/h1-20H,(H,35,37)(H,36,38).
What are the key properties of 3-fluoro-N-[4-[3-[4-[(3-fluorobenzoyl)amino]phenoxy]phenoxy]phenyl]benzamide?
3-fluoro-N-[4-[3-[4-[(3-fluorobenzoyl)amino]phenoxy]phenoxy]phenyl]benzamide has a molecular weight of 536.53 g/mol, XLogP of 8.05, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[4-[3-[4-[(3-fluorobenzoyl)amino]phenoxy]phenoxy]phenyl]benzamide is sourced from PubChem (CID 3108222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).