bicyclo[3.1.0]hexa-1(6),2,4-triene;5-fluoro-2-(4-hydroxyphenoxy)benzamide

C19H14FNO3 — CID 175582610

IUPACbicyclo[3.1.0]hexa-1(6),2,4-triene;5-fluoro-2-(4-hydroxyphenoxy)benzamide
SMILESNC(=O)c1cc(F)ccc1Oc1ccc(O)cc1.c1cc2cc-2c1
InChIInChI=1S/C13H10FNO3.C6H4/c14-8-1-6-12(11(7-8)13(15)17)18-10-4-2-9(16)3-5-10;1-2-5-4-6(5)3-1/h1-7,16H,(H2,15,17);1-4H
InChIKeyIVHDNCAADBRRKS-UHFFFAOYSA-N
MW323.32 g/mol
LogP4.09
Rot. Bonds3

About bicyclo[3.1.0]hexa-1(6),2,4-triene;5-fluoro-2-(4-hydroxyphenoxy)benzamide

bicyclo[3.1.0]hexa-1(6),2,4-triene;5-fluoro-2-(4-hydroxyphenoxy)benzamide (PubChem CID 175582610) has the molecular formula C19H14FNO3 and a molecular weight of 323.32 g/mol. Its IUPAC name is bicyclo[3.1.0]hexa-1(6),2,4-triene;5-fluoro-2-(4-hydroxyphenoxy)benzamide.

Molecular Properties

Compound Namebicyclo[3.1.0]hexa-1(6),2,4-triene;5-fluoro-2-(4-hydroxyphenoxy)benzamide
PubChem CID175582610
Molecular FormulaC19H14FNO3
Molecular Weight323.32 g/mol
Exact Mass323.10
IUPAC Namebicyclo[3.1.0]hexa-1(6),2,4-triene;5-fluoro-2-(4-hydroxyphenoxy)benzamide
SMILESNC(=O)c1cc(F)ccc1Oc1ccc(O)cc1.c1cc2cc-2c1
InChIInChI=1S/C13H10FNO3.C6H4/c14-8-1-6-12(11(7-8)13(15)17)18-10-4-2-9(16)3-5-10;1-2-5-4-6(5)3-1/h1-7,16H,(H2,15,17);1-4H
InChIKeyIVHDNCAADBRRKS-UHFFFAOYSA-N
XLogP4.09
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-2-(3-phenylphenoxy)benzamide
CID 171776935
2-(3-bromophenoxy)-5-fluorobenzamide
CID 63673769
1-[5-fluoro-2-(4-fluorophenoxy)phenyl]ethanone
CID 14797581
3-fluoro-4-(4-hydroxyphenoxy)benzamide
CID 60870089
3-(4-fluorophenoxy)-2-sulfamoylbenzamide
CID 174799988
2-fluoro-3-phenoxybenzamide
CID 58104414
5-fluoro-2-(4-nitrophenoxy)benzoic acid
CID 61032286
3-amino-4-(4-fluorophenoxy)phenol
CID 14722260
5-fluoro-2-(3-methylsulfonylphenoxy)benzenecarbothioamide
CID 63675113
2-(3-amino-5-fluorophenoxy)benzamide
CID 80753129
(4-hydroxyphenyl) 2-(4-hydroxyphenoxy)benzoate
CID 57464622
2-fluoro-5-(2-fluorophenoxy)benzamide
CID 175987323

Frequently Asked Questions

What is the IUPAC name of bicyclo[3.1.0]hexa-1(6),2,4-triene;5-fluoro-2-(4-hydroxyphenoxy)benzamide?
The IUPAC name of bicyclo[3.1.0]hexa-1(6),2,4-triene;5-fluoro-2-(4-hydroxyphenoxy)benzamide (CID 175582610) is bicyclo[3.1.0]hexa-1(6),2,4-triene;5-fluoro-2-(4-hydroxyphenoxy)benzamide.
What is the SMILES notation for bicyclo[3.1.0]hexa-1(6),2,4-triene;5-fluoro-2-(4-hydroxyphenoxy)benzamide?
The canonical SMILES for bicyclo[3.1.0]hexa-1(6),2,4-triene;5-fluoro-2-(4-hydroxyphenoxy)benzamide is NC(=O)c1cc(F)ccc1Oc1ccc(O)cc1.c1cc2cc-2c1.
What is the InChIKey of bicyclo[3.1.0]hexa-1(6),2,4-triene;5-fluoro-2-(4-hydroxyphenoxy)benzamide?
The InChIKey is IVHDNCAADBRRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO3.C6H4/c14-8-1-6-12(11(7-8)13(15)17)18-10-4-2-9(16)3-5-10;1-2-5-4-6(5)3-1/h1-7,16H,(H2,15,17);1-4H.
What are the key properties of bicyclo[3.1.0]hexa-1(6),2,4-triene;5-fluoro-2-(4-hydroxyphenoxy)benzamide?
bicyclo[3.1.0]hexa-1(6),2,4-triene;5-fluoro-2-(4-hydroxyphenoxy)benzamide has a molecular weight of 323.32 g/mol, XLogP of 4.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[3.1.0]hexa-1(6),2,4-triene;5-fluoro-2-(4-hydroxyphenoxy)benzamide is sourced from PubChem (CID 175582610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).