N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(3-fluorophenyl)acetamide

C16H15F2NO2 — CID 110780014

IUPACN-[(3-fluoro-4-methoxyphenyl)methyl]-2-(3-fluorophenyl)acetamide
SMILESCOc1ccc(CNC(=O)Cc2cccc(F)c2)cc1F
InChIInChI=1S/C16H15F2NO2/c1-21-15-6-5-12(8-14(15)18)10-19-16(20)9-11-3-2-4-13(17)7-11/h2-8H,9-10H2,1H3,(H,19,20)
InChIKeyXAOAZLKBYWFYLM-UHFFFAOYSA-N
MW291.30 g/mol
LogP2.83
Rot. Bonds5

About N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(3-fluorophenyl)acetamide

N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(3-fluorophenyl)acetamide (PubChem CID 110780014) has the molecular formula C16H15F2NO2 and a molecular weight of 291.30 g/mol. Its IUPAC name is N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-methoxyphenyl)methyl]-2-(3-fluorophenyl)acetamide
PubChem CID110780014
Molecular FormulaC16H15F2NO2
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC NameN-[(3-fluoro-4-methoxyphenyl)methyl]-2-(3-fluorophenyl)acetamide
SMILESCOc1ccc(CNC(=O)Cc2cccc(F)c2)cc1F
InChIInChI=1S/C16H15F2NO2/c1-21-15-6-5-12(8-14(15)18)10-19-16(20)9-11-3-2-4-13(17)7-11/h2-8H,9-10H2,1H3,(H,19,20)
InChIKeyXAOAZLKBYWFYLM-UHFFFAOYSA-N
XLogP2.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 9269129
N-[(3-cyanophenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 86926437
2-(4-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide
CID 110779980
N-[(4-chlorophenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 9042461
N-[3-[[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]methyl]phenyl]-2-methylpropanamide
CID 33015490
methyl 4-[[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]methyl]benzoate
CID 18200158
3-(3-fluoro-4-methoxyphenyl)-N-[(3-methylphenyl)methyl]propanamide
CID 134003498
2-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]acetamide
CID 47161047
methyl 4-[(3-fluoro-4-methoxyphenyl)methylamino]-4-oxobutanoate
CID 94696051
4-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 110779968
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-(3-methylphenyl)acetamide
CID 110780202
2-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 110779966

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(3-fluorophenyl)acetamide (CID 110780014) is N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(3-fluorophenyl)acetamide is COc1ccc(CNC(=O)Cc2cccc(F)c2)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(3-fluorophenyl)acetamide?
The InChIKey is XAOAZLKBYWFYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO2/c1-21-15-6-5-12(8-14(15)18)10-19-16(20)9-11-3-2-4-13(17)7-11/h2-8H,9-10H2,1H3,(H,19,20).
What are the key properties of N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(3-fluorophenyl)acetamide?
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(3-fluorophenyl)acetamide has a molecular weight of 291.30 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 110780014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).