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

C16H15F2NO3 — CID 110888727

IUPAC5-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-methoxybenzamide
SMILESCOc1ccc(F)cc1C(=O)NCC(O)c1ccc(F)cc1
InChIInChI=1S/C16H15F2NO3/c1-22-15-7-6-12(18)8-13(15)16(21)19-9-14(20)10-2-4-11(17)5-3-10/h2-8,14,20H,9H2,1H3,(H,19,21)
InChIKeyFSNYPGUAYMEHMQ-UHFFFAOYSA-N
MW307.30 g/mol
LogP2.44
Rot. Bonds5

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

5-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-methoxybenzamide (PubChem CID 110888727) has the molecular formula C16H15F2NO3 and a molecular weight of 307.30 g/mol. Its IUPAC name is 5-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-methoxybenzamide
PubChem CID110888727
Molecular FormulaC16H15F2NO3
Molecular Weight307.30 g/mol
Exact Mass307.10
IUPAC Name5-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-methoxybenzamide
SMILESCOc1ccc(F)cc1C(=O)NCC(O)c1ccc(F)cc1
InChIInChI=1S/C16H15F2NO3/c1-22-15-7-6-12(18)8-13(15)16(21)19-9-14(20)10-2-4-11(17)5-3-10/h2-8,14,20H,9H2,1H3,(H,19,21)
InChIKeyFSNYPGUAYMEHMQ-UHFFFAOYSA-N
XLogP2.44
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-difluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]benzamide
CID 110888862
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 90613273
4-fluoro-N-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide
CID 38800266
5-fluoro-N-[2-(4-fluorophenyl)ethyl]-2-methoxybenzamide
CID 31069458
N-(2-aminoethyl)-5-fluoro-2-methoxybenzamide
CID 119385341
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2,5-dimethylbenzamide
CID 72717717
5-fluoro-2-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 31069159
5-fluoro-N-[2-(3-fluorophenyl)ethyl]-2-methoxybenzamide
CID 31116362
N-[2-[di(propan-2-yl)amino]ethyl]-5-fluoro-2-methoxybenzamide
CID 34819371
N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-2-methoxybenzamide
CID 2382187
2-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]-3-(3-methylphenyl)propanoic acid
CID 119243277
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-methylfuran-3-carboxamide
CID 110888799

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-methoxybenzamide?
The IUPAC name of 5-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-methoxybenzamide (CID 110888727) is 5-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-methoxybenzamide.
What is the SMILES notation for 5-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-methoxybenzamide?
The canonical SMILES for 5-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-methoxybenzamide is COc1ccc(F)cc1C(=O)NCC(O)c1ccc(F)cc1.
What is the InChIKey of 5-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-methoxybenzamide?
The InChIKey is FSNYPGUAYMEHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO3/c1-22-15-7-6-12(18)8-13(15)16(21)19-9-14(20)10-2-4-11(17)5-3-10/h2-8,14,20H,9H2,1H3,(H,19,21).
What are the key properties of 5-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-methoxybenzamide?
5-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-methoxybenzamide has a molecular weight of 307.30 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-methoxybenzamide is sourced from PubChem (CID 110888727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).