2-chloro-4-[3-(4-fluorophenoxy)phenoxy]benzamide

C19H13ClFNO3 — CID 141362722

IUPAC2-chloro-4-[3-(4-fluorophenoxy)phenoxy]benzamide
SMILESNC(=O)c1ccc(Oc2cccc(Oc3ccc(F)cc3)c2)cc1Cl
InChIInChI=1S/C19H13ClFNO3/c20-18-11-16(8-9-17(18)19(22)23)25-15-3-1-2-14(10-15)24-13-6-4-12(21)5-7-13/h1-11H,(H2,22,23)
InChIKeyUBBQCGAQVBCOHT-UHFFFAOYSA-N
MW357.77 g/mol
LogP5.16
Rot. Bonds5

About 2-chloro-4-[3-(4-fluorophenoxy)phenoxy]benzamide

2-chloro-4-[3-(4-fluorophenoxy)phenoxy]benzamide (PubChem CID 141362722) has the molecular formula C19H13ClFNO3 and a molecular weight of 357.77 g/mol. Its IUPAC name is 2-chloro-4-[3-(4-fluorophenoxy)phenoxy]benzamide.

Molecular Properties

Compound Name2-chloro-4-[3-(4-fluorophenoxy)phenoxy]benzamide
PubChem CID141362722
Molecular FormulaC19H13ClFNO3
Molecular Weight357.77 g/mol
Exact Mass357.06
IUPAC Name2-chloro-4-[3-(4-fluorophenoxy)phenoxy]benzamide
SMILESNC(=O)c1ccc(Oc2cccc(Oc3ccc(F)cc3)c2)cc1Cl
InChIInChI=1S/C19H13ClFNO3/c20-18-11-16(8-9-17(18)19(22)23)25-15-3-1-2-14(10-15)24-13-6-4-12(21)5-7-13/h1-11H,(H2,22,23)
InChIKeyUBBQCGAQVBCOHT-UHFFFAOYSA-N
XLogP5.16
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.77
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-fluoro-4-[3-[3-[3-[3-(4-fluorophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]benzene
CID 22338364
2-chloro-4-[4-(methylamino)phenoxy]benzamide
CID 62945399
4-(5-bromo-2-fluorophenoxy)-2-chlorobenzamide
CID 114673153
methyl 2-chloro-4-fluorobenzoate;methyl 2-chloro-4-phenoxybenzoate;phenol
CID 157480353
2-chloro-4-(3-ethoxyphenoxy)benzenecarbothioamide
CID 62948319
4-(4-fluorophenoxy)benzamide
CID 22142233
2-chloro-4-phenoxybenzenecarboximidamide
CID 62947206
4-(3-bromophenoxy)-2-chlorobenzoic acid
CID 63512624
2-chloro-4-(2,4-difluorophenoxy)benzenecarbothioamide
CID 62948650
2-chloro-4-(4-chloro-3-fluorophenoxy)benzoic acid
CID 82726948
1,4-bis[3-(3-fluorophenoxy)phenoxy]benzene
CID 22338391
1-[2-chloro-4-(4-chlorophenoxy)phenyl]ethanone
CID 677479

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[3-(4-fluorophenoxy)phenoxy]benzamide?
The IUPAC name of 2-chloro-4-[3-(4-fluorophenoxy)phenoxy]benzamide (CID 141362722) is 2-chloro-4-[3-(4-fluorophenoxy)phenoxy]benzamide.
What is the SMILES notation for 2-chloro-4-[3-(4-fluorophenoxy)phenoxy]benzamide?
The canonical SMILES for 2-chloro-4-[3-(4-fluorophenoxy)phenoxy]benzamide is NC(=O)c1ccc(Oc2cccc(Oc3ccc(F)cc3)c2)cc1Cl.
What is the InChIKey of 2-chloro-4-[3-(4-fluorophenoxy)phenoxy]benzamide?
The InChIKey is UBBQCGAQVBCOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClFNO3/c20-18-11-16(8-9-17(18)19(22)23)25-15-3-1-2-14(10-15)24-13-6-4-12(21)5-7-13/h1-11H,(H2,22,23).
What are the key properties of 2-chloro-4-[3-(4-fluorophenoxy)phenoxy]benzamide?
2-chloro-4-[3-(4-fluorophenoxy)phenoxy]benzamide has a molecular weight of 357.77 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[3-(4-fluorophenoxy)phenoxy]benzamide is sourced from PubChem (CID 141362722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).