5-fluoro-N-[2-(4-fluorophenyl)ethyl]-2-methoxybenzamide

C16H15F2NO2 — CID 31069458

IUPAC5-fluoro-N-[2-(4-fluorophenyl)ethyl]-2-methoxybenzamide
SMILESCOc1ccc(F)cc1C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C16H15F2NO2/c1-21-15-7-6-13(18)10-14(15)16(20)19-9-8-11-2-4-12(17)5-3-11/h2-7,10H,8-9H2,1H3,(H,19,20)
InChIKeyAKTBVILQNCUTCO-UHFFFAOYSA-N
MW291.30 g/mol
LogP2.95
Rot. Bonds5

About 5-fluoro-N-[2-(4-fluorophenyl)ethyl]-2-methoxybenzamide

5-fluoro-N-[2-(4-fluorophenyl)ethyl]-2-methoxybenzamide (PubChem CID 31069458) has the molecular formula C16H15F2NO2 and a molecular weight of 291.30 g/mol. Its IUPAC name is 5-fluoro-N-[2-(4-fluorophenyl)ethyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-fluoro-N-[2-(4-fluorophenyl)ethyl]-2-methoxybenzamide
PubChem CID31069458
Molecular FormulaC16H15F2NO2
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name5-fluoro-N-[2-(4-fluorophenyl)ethyl]-2-methoxybenzamide
SMILESCOc1ccc(F)cc1C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C16H15F2NO2/c1-21-15-7-6-13(18)10-14(15)16(20)19-9-8-11-2-4-12(17)5-3-11/h2-7,10H,8-9H2,1H3,(H,19,20)
InChIKeyAKTBVILQNCUTCO-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-N-[2-(3-fluorophenyl)ethyl]-2-methoxybenzamide
CID 31116362
5-fluoro-2-methoxy-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 31122834
N-[2-(4-fluorophenyl)ethyl]-2-methoxy-5-nitrobenzamide
CID 9210501
5-fluoro-2-methoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 31064262
N-(2-aminoethyl)-5-fluoro-2-methoxybenzamide
CID 119385341
5-fluoro-2-methoxy-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 31116235
2,5-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 18189798
2-(3,4-dimethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7336900
5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-methoxybenzamide
CID 9113269
N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-5-fluoro-2-methylbenzamide
CID 60618472
2-bromo-5-fluoro-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 9210550
4-ethoxy-N-[2-(4-fluorophenyl)ethyl]-3-methoxybenzamide
CID 9391807

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[2-(4-fluorophenyl)ethyl]-2-methoxybenzamide?
The IUPAC name of 5-fluoro-N-[2-(4-fluorophenyl)ethyl]-2-methoxybenzamide (CID 31069458) is 5-fluoro-N-[2-(4-fluorophenyl)ethyl]-2-methoxybenzamide.
What is the SMILES notation for 5-fluoro-N-[2-(4-fluorophenyl)ethyl]-2-methoxybenzamide?
The canonical SMILES for 5-fluoro-N-[2-(4-fluorophenyl)ethyl]-2-methoxybenzamide is COc1ccc(F)cc1C(=O)NCCc1ccc(F)cc1.
What is the InChIKey of 5-fluoro-N-[2-(4-fluorophenyl)ethyl]-2-methoxybenzamide?
The InChIKey is AKTBVILQNCUTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO2/c1-21-15-7-6-13(18)10-14(15)16(20)19-9-8-11-2-4-12(17)5-3-11/h2-7,10H,8-9H2,1H3,(H,19,20).
What are the key properties of 5-fluoro-N-[2-(4-fluorophenyl)ethyl]-2-methoxybenzamide?
5-fluoro-N-[2-(4-fluorophenyl)ethyl]-2-methoxybenzamide has a molecular weight of 291.30 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[2-(4-fluorophenyl)ethyl]-2-methoxybenzamide is sourced from PubChem (CID 31069458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).