2-[6-(3-fluorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]acetamide

C22H18FNO3 — CID 18189280

IUPAC2-[6-(3-fluorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]acetamide
SMILESCOc1cccc2c1-c1ccc(CC(N)=O)cc1C(c1cccc(F)c1)O2
InChIInChI=1S/C22H18FNO3/c1-26-18-6-3-7-19-21(18)16-9-8-13(11-20(24)25)10-17(16)22(27-19)14-4-2-5-15(23)12-14/h2-10,12,22H,11H2,1H3,(H2,24,25)
InChIKeyOKDWDQIHULIGHI-UHFFFAOYSA-N
MW363.39 g/mol
LogP4.01
Rot. Bonds4

About 2-[6-(3-fluorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]acetamide

2-[6-(3-fluorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]acetamide (PubChem CID 18189280) has the molecular formula C22H18FNO3 and a molecular weight of 363.39 g/mol. Its IUPAC name is 2-[6-(3-fluorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]acetamide.

Molecular Properties

Compound Name2-[6-(3-fluorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]acetamide
PubChem CID18189280
Molecular FormulaC22H18FNO3
Molecular Weight363.39 g/mol
Exact Mass363.13
IUPAC Name2-[6-(3-fluorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]acetamide
SMILESCOc1cccc2c1-c1ccc(CC(N)=O)cc1C(c1cccc(F)c1)O2
InChIInChI=1S/C22H18FNO3/c1-26-18-6-3-7-19-21(18)16-9-8-13(11-20(24)25)10-17(16)22(27-19)14-4-2-5-15(23)12-14/h2-10,12,22H,11H2,1H3,(H2,24,25)
InChIKeyOKDWDQIHULIGHI-UHFFFAOYSA-N
XLogP4.01
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-fluorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]acetamide?
The IUPAC name of 2-[6-(3-fluorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]acetamide (CID 18189280) is 2-[6-(3-fluorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]acetamide.
What is the SMILES notation for 2-[6-(3-fluorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]acetamide?
The canonical SMILES for 2-[6-(3-fluorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]acetamide is COc1cccc2c1-c1ccc(CC(N)=O)cc1C(c1cccc(F)c1)O2.
What is the InChIKey of 2-[6-(3-fluorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]acetamide?
The InChIKey is OKDWDQIHULIGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FNO3/c1-26-18-6-3-7-19-21(18)16-9-8-13(11-20(24)25)10-17(16)22(27-19)14-4-2-5-15(23)12-14/h2-10,12,22H,11H2,1H3,(H2,24,25).
What are the key properties of 2-[6-(3-fluorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]acetamide?
2-[6-(3-fluorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]acetamide has a molecular weight of 363.39 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-fluorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]acetamide is sourced from PubChem (CID 18189280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).