N-(1,3-benzodioxol-4-ylmethyl)-2-fluoro-N-(2-phenoxyphenyl)acetamide

C22H18FNO4 — CID 67257868

IUPACN-(1,3-benzodioxol-4-ylmethyl)-2-fluoro-N-(2-phenoxyphenyl)acetamide
SMILESO=C(CF)N(Cc1cccc2c1OCO2)c1ccccc1Oc1ccccc1
InChIInChI=1S/C22H18FNO4/c23-13-21(25)24(14-16-7-6-12-20-22(16)27-15-26-20)18-10-4-5-11-19(18)28-17-8-2-1-3-9-17/h1-12H,13-15H2
InChIKeyJHMUPOREYLLSRB-UHFFFAOYSA-N
MW379.39 g/mol
LogP4.71
Rot. Bonds6

About N-(1,3-benzodioxol-4-ylmethyl)-2-fluoro-N-(2-phenoxyphenyl)acetamide

N-(1,3-benzodioxol-4-ylmethyl)-2-fluoro-N-(2-phenoxyphenyl)acetamide (PubChem CID 67257868) has the molecular formula C22H18FNO4 and a molecular weight of 379.39 g/mol. Its IUPAC name is N-(1,3-benzodioxol-4-ylmethyl)-2-fluoro-N-(2-phenoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-4-ylmethyl)-2-fluoro-N-(2-phenoxyphenyl)acetamide
PubChem CID67257868
Molecular FormulaC22H18FNO4
Molecular Weight379.39 g/mol
Exact Mass379.12
IUPAC NameN-(1,3-benzodioxol-4-ylmethyl)-2-fluoro-N-(2-phenoxyphenyl)acetamide
SMILESO=C(CF)N(Cc1cccc2c1OCO2)c1ccccc1Oc1ccccc1
InChIInChI=1S/C22H18FNO4/c23-13-21(25)24(14-16-7-6-12-20-22(16)27-15-26-20)18-10-4-5-11-19(18)28-17-8-2-1-3-9-17/h1-12H,13-15H2
InChIKeyJHMUPOREYLLSRB-UHFFFAOYSA-N
XLogP4.71
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Daa-1106 C-11
CID 5458184
N-(2,5-dimethoxybenzyl)-N-(5-fluoro-2-phenoxyphenyl)acetamide
CID 10430788
N-(2,3-dihydro-1-benzofuran-7-ylmethyl)-2-fluoro-N-(2-phenoxyphenyl)acetamide
CID 53239668
Pbr-06
CID 25208880
Pbr-06 F-18
CID 11696868
N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-fluoro-N-(2-phenoxyphenyl)acetamide
CID 68334393
Fedaa-1106
CID 9845414
N-(2-Fluoromethoxy-5-methoxy-benzyl)-N-(5-fluoro-2-phenoxy-phenyl)-acetamide
CID 11165856
Fedaa-1106 F-18
CID 6398888
3-Benzo[1,3]dioxol-4-yl-N-{4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-acrylamide
CID 11102188
N-[[5-(2-fluoroethoxy)-2-methoxyphenyl]methyl]-N-(5-fluoro-2-phenoxyphenyl)acetamide
CID 70684660
N-[(2,5-dimethoxyphenyl)methyl]-2-fluoro-N-(5-fluoro-2-phenoxyphenyl)acetamide
CID 70684661

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-4-ylmethyl)-2-fluoro-N-(2-phenoxyphenyl)acetamide?
The IUPAC name of N-(1,3-benzodioxol-4-ylmethyl)-2-fluoro-N-(2-phenoxyphenyl)acetamide (CID 67257868) is N-(1,3-benzodioxol-4-ylmethyl)-2-fluoro-N-(2-phenoxyphenyl)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-4-ylmethyl)-2-fluoro-N-(2-phenoxyphenyl)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-4-ylmethyl)-2-fluoro-N-(2-phenoxyphenyl)acetamide is O=C(CF)N(Cc1cccc2c1OCO2)c1ccccc1Oc1ccccc1.
What is the InChIKey of N-(1,3-benzodioxol-4-ylmethyl)-2-fluoro-N-(2-phenoxyphenyl)acetamide?
The InChIKey is JHMUPOREYLLSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FNO4/c23-13-21(25)24(14-16-7-6-12-20-22(16)27-15-26-20)18-10-4-5-11-19(18)28-17-8-2-1-3-9-17/h1-12H,13-15H2.
What are the key properties of N-(1,3-benzodioxol-4-ylmethyl)-2-fluoro-N-(2-phenoxyphenyl)acetamide?
N-(1,3-benzodioxol-4-ylmethyl)-2-fluoro-N-(2-phenoxyphenyl)acetamide has a molecular weight of 379.39 g/mol, XLogP of 4.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-4-ylmethyl)-2-fluoro-N-(2-phenoxyphenyl)acetamide is sourced from PubChem (CID 67257868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).