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

C16H16FNO3 — CID 111566266

IUPACN-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC(O)c2ccccc2F)cc1
InChIInChI=1S/C16H16FNO3/c1-21-12-8-6-11(7-9-12)16(20)18-10-15(19)13-4-2-3-5-14(13)17/h2-9,15,19H,10H2,1H3,(H,18,20)
InChIKeyZPFMLPNENLFOIS-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.30
Rot. Bonds5

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

N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-methoxybenzamide (PubChem CID 111566266) has the molecular formula C16H16FNO3 and a molecular weight of 289.31 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-methoxybenzamide
PubChem CID111566266
Molecular FormulaC16H16FNO3
Molecular Weight289.31 g/mol
Exact Mass289.11
IUPAC NameN-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC(O)c2ccccc2F)cc1
InChIInChI=1S/C16H16FNO3/c1-21-12-8-6-11(7-9-12)16(20)18-10-15(19)13-4-2-3-5-14(13)17/h2-9,15,19H,10H2,1H3,(H,18,20)
InChIKeyZPFMLPNENLFOIS-UHFFFAOYSA-N
XLogP2.30
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-4-methoxybenzamide
CID 94816564
4-acetamido-N-[2-(2-fluorophenyl)-2-hydroxyethyl]benzamide
CID 111566086
4-(cyclopropylmethoxy)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]benzamide
CID 111565689
4-fluoro-N-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide
CID 38800266
4-(ethylsulfanylmethyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]benzamide
CID 111565953
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-6-methylsulfanylpyridine-3-carboxamide
CID 111566028
N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-3-methoxybenzamide
CID 95367144
N-(2-hydroxy-2-naphthalen-1-ylethyl)-3-methoxybenzamide
CID 56764104
N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 7758239
3-chloro-N-[2-(2-fluorophenyl)-2-hydroxyethyl]benzamide
CID 111566265
N-[2-(2-fluorophenyl)-2-hydroxyethyl]thiophene-3-carboxamide
CID 111566262
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-hydroxy-5-methylbenzamide
CID 111578636

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-methoxybenzamide?
The IUPAC name of N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-methoxybenzamide (CID 111566266) is N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-methoxybenzamide is COc1ccc(C(=O)NCC(O)c2ccccc2F)cc1.
What is the InChIKey of N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-methoxybenzamide?
The InChIKey is ZPFMLPNENLFOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3/c1-21-12-8-6-11(7-9-12)16(20)18-10-15(19)13-4-2-3-5-14(13)17/h2-9,15,19H,10H2,1H3,(H,18,20).
What are the key properties of N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-methoxybenzamide?
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-methoxybenzamide has a molecular weight of 289.31 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-methoxybenzamide is sourced from PubChem (CID 111566266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).