N-[(2,5-dimethoxyphenyl)methyl]-2-fluoro-N-(5-fluoro-2-phenoxyphenyl)acetamide

C23H21F2NO4 — CID 70684661

IUPACN-[(2,5-dimethoxyphenyl)methyl]-2-fluoro-N-(5-fluoro-2-phenoxyphenyl)acetamide
SMILESCOc1ccc(OC)c(CN(C(=O)CF)c2cc(F)ccc2Oc2ccccc2)c1
InChIInChI=1S/C23H21F2NO4/c1-28-19-9-11-21(29-2)16(12-19)15-26(23(27)14-24)20-13-17(25)8-10-22(20)30-18-6-4-3-5-7-18/h3-13H,14-15H2,1-2H3
InChIKeyHTNUJMPRDOLMKB-UHFFFAOYSA-N
MW413.42 g/mol
LogP5.14
Rot. Bonds8

About N-[(2,5-dimethoxyphenyl)methyl]-2-fluoro-N-(5-fluoro-2-phenoxyphenyl)acetamide

N-[(2,5-dimethoxyphenyl)methyl]-2-fluoro-N-(5-fluoro-2-phenoxyphenyl)acetamide (PubChem CID 70684661) has the molecular formula C23H21F2NO4 and a molecular weight of 413.42 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methyl]-2-fluoro-N-(5-fluoro-2-phenoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methyl]-2-fluoro-N-(5-fluoro-2-phenoxyphenyl)acetamide
PubChem CID70684661
Molecular FormulaC23H21F2NO4
Molecular Weight413.42 g/mol
Exact Mass413.14
IUPAC NameN-[(2,5-dimethoxyphenyl)methyl]-2-fluoro-N-(5-fluoro-2-phenoxyphenyl)acetamide
SMILESCOc1ccc(OC)c(CN(C(=O)CF)c2cc(F)ccc2Oc2ccccc2)c1
InChIInChI=1S/C23H21F2NO4/c1-28-19-9-11-21(29-2)16(12-19)15-26(23(27)14-24)20-13-17(25)8-10-22(20)30-18-6-4-3-5-7-18/h3-13H,14-15H2,1-2H3
InChIKeyHTNUJMPRDOLMKB-UHFFFAOYSA-N
XLogP5.14
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.42
LogP ≤ 55.14
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-(benzo[1,3]dioxol-4-ylmethyl)-2-Fluoro-N-(2-phenyloxy-phenyl)acetamide
CID 67257868
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
N-[[5-(2-fluoroethoxy)-2-methoxyphenyl]methyl]-N-(5-fluoro-2-phenoxyphenyl)acetamide
CID 70684660
N-(2-cyclopentyloxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]-2-fluoroacetamide
CID 70688885

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-2-fluoro-N-(5-fluoro-2-phenoxyphenyl)acetamide?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-2-fluoro-N-(5-fluoro-2-phenoxyphenyl)acetamide (CID 70684661) is N-[(2,5-dimethoxyphenyl)methyl]-2-fluoro-N-(5-fluoro-2-phenoxyphenyl)acetamide.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methyl]-2-fluoro-N-(5-fluoro-2-phenoxyphenyl)acetamide?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methyl]-2-fluoro-N-(5-fluoro-2-phenoxyphenyl)acetamide is COc1ccc(OC)c(CN(C(=O)CF)c2cc(F)ccc2Oc2ccccc2)c1.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methyl]-2-fluoro-N-(5-fluoro-2-phenoxyphenyl)acetamide?
The InChIKey is HTNUJMPRDOLMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2NO4/c1-28-19-9-11-21(29-2)16(12-19)15-26(23(27)14-24)20-13-17(25)8-10-22(20)30-18-6-4-3-5-7-18/h3-13H,14-15H2,1-2H3.
What are the key properties of N-[(2,5-dimethoxyphenyl)methyl]-2-fluoro-N-(5-fluoro-2-phenoxyphenyl)acetamide?
N-[(2,5-dimethoxyphenyl)methyl]-2-fluoro-N-(5-fluoro-2-phenoxyphenyl)acetamide has a molecular weight of 413.42 g/mol, XLogP of 5.14, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)methyl]-2-fluoro-N-(5-fluoro-2-phenoxyphenyl)acetamide is sourced from PubChem (CID 70684661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).