N-(5-chloro-2-phenoxyphenyl)-2-fluorobenzamide

C19H13ClFNO2 — CID 2712145

IUPACN-(5-chloro-2-phenoxyphenyl)-2-fluorobenzamide
SMILESO=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1ccccc1F
InChIInChI=1S/C19H13ClFNO2/c20-13-10-11-18(24-14-6-2-1-3-7-14)17(12-13)22-19(23)15-8-4-5-9-16(15)21/h1-12H,(H,22,23)
InChIKeyNBFBULOJFCZGIY-UHFFFAOYSA-N
MW341.77 g/mol
LogP5.52
Rot. Bonds4

About N-(5-chloro-2-phenoxyphenyl)-2-fluorobenzamide

N-(5-chloro-2-phenoxyphenyl)-2-fluorobenzamide (PubChem CID 2712145) has the molecular formula C19H13ClFNO2 and a molecular weight of 341.77 g/mol. Its IUPAC name is N-(5-chloro-2-phenoxyphenyl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(5-chloro-2-phenoxyphenyl)-2-fluorobenzamide
PubChem CID2712145
Molecular FormulaC19H13ClFNO2
Molecular Weight341.77 g/mol
Exact Mass341.06
IUPAC NameN-(5-chloro-2-phenoxyphenyl)-2-fluorobenzamide
SMILESO=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1ccccc1F
InChIInChI=1S/C19H13ClFNO2/c20-13-10-11-18(24-14-6-2-1-3-7-14)17(12-13)22-19(23)15-8-4-5-9-16(15)21/h1-12H,(H,22,23)
InChIKeyNBFBULOJFCZGIY-UHFFFAOYSA-N
XLogP5.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.77
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-phenoxyphenyl)-2-fluorobenzamide?
The IUPAC name of N-(5-chloro-2-phenoxyphenyl)-2-fluorobenzamide (CID 2712145) is N-(5-chloro-2-phenoxyphenyl)-2-fluorobenzamide.
What is the SMILES notation for N-(5-chloro-2-phenoxyphenyl)-2-fluorobenzamide?
The canonical SMILES for N-(5-chloro-2-phenoxyphenyl)-2-fluorobenzamide is O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1ccccc1F.
What is the InChIKey of N-(5-chloro-2-phenoxyphenyl)-2-fluorobenzamide?
The InChIKey is NBFBULOJFCZGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClFNO2/c20-13-10-11-18(24-14-6-2-1-3-7-14)17(12-13)22-19(23)15-8-4-5-9-16(15)21/h1-12H,(H,22,23).
What are the key properties of N-(5-chloro-2-phenoxyphenyl)-2-fluorobenzamide?
N-(5-chloro-2-phenoxyphenyl)-2-fluorobenzamide has a molecular weight of 341.77 g/mol, XLogP of 5.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-phenoxyphenyl)-2-fluorobenzamide is sourced from PubChem (CID 2712145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).