N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-(2-methylphenoxy)butanamide

C19H22FNO3 — CID 111565790

IUPACN-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-(2-methylphenoxy)butanamide
SMILESCc1ccccc1OCCCC(=O)NCC(O)c1ccccc1F
InChIInChI=1S/C19H22FNO3/c1-14-7-2-5-10-18(14)24-12-6-11-19(23)21-13-17(22)15-8-3-4-9-16(15)20/h2-5,7-10,17,22H,6,11-13H2,1H3,(H,21,23)
InChIKeyIBSOYIJVKGHXQI-UHFFFAOYSA-N
MW331.39 g/mol
LogP3.14
Rot. Bonds8

About N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-(2-methylphenoxy)butanamide

N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-(2-methylphenoxy)butanamide (PubChem CID 111565790) has the molecular formula C19H22FNO3 and a molecular weight of 331.39 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-(2-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-(2-methylphenoxy)butanamide
PubChem CID111565790
Molecular FormulaC19H22FNO3
Molecular Weight331.39 g/mol
Exact Mass331.16
IUPAC NameN-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-(2-methylphenoxy)butanamide
SMILESCc1ccccc1OCCCC(=O)NCC(O)c1ccccc1F
InChIInChI=1S/C19H22FNO3/c1-14-7-2-5-10-18(14)24-12-6-11-19(23)21-13-17(22)15-8-3-4-9-16(15)20/h2-5,7-10,17,22H,6,11-13H2,1H3,(H,21,23)
InChIKeyIBSOYIJVKGHXQI-UHFFFAOYSA-N
XLogP3.14
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-fluorophenoxy)-N-(2-hydroxypropyl)butanamide
CID 110466153
2-(2,6-dimethylphenoxy)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]acetamide
CID 111566012
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-(2-methylphenoxy)butanamide
CID 55538099
N-[2-(2-fluorophenyl)-2-hydroxyethyl]pent-4-enamide
CID 111566124
2-[(4-fluorophenyl)methyl]-3-[4-(2-methylphenoxy)butanoylamino]propanamide
CID 60601122
4-methyl-2-[[4-(2-methylphenoxy)butanoylamino]methyl]pentanoic acid
CID 119253595
(2S)-2-hydroxy-4-[4-(2-methylphenoxy)butanoylamino]butanoic acid
CID 107834348
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-methylbutanamide
CID 71982886
N-(2-hydroxy-2-thiophen-3-ylethyl)-3-(2-methylphenoxy)propanamide
CID 103771719
N-(2-ethylbutyl)-3-(2-methylphenoxy)propanamide
CID 115612578
N-(3-methoxypropyl)-4-(2-methylphenoxy)butanamide
CID 127115832
N-(2-cyclopentyl-2-hydroxyethyl)-4-(2-fluorophenoxy)butanamide
CID 111426079

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-(2-methylphenoxy)butanamide?
The IUPAC name of N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-(2-methylphenoxy)butanamide (CID 111565790) is N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-(2-methylphenoxy)butanamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-(2-methylphenoxy)butanamide?
The canonical SMILES for N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-(2-methylphenoxy)butanamide is Cc1ccccc1OCCCC(=O)NCC(O)c1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-(2-methylphenoxy)butanamide?
The InChIKey is IBSOYIJVKGHXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO3/c1-14-7-2-5-10-18(14)24-12-6-11-19(23)21-13-17(22)15-8-3-4-9-16(15)20/h2-5,7-10,17,22H,6,11-13H2,1H3,(H,21,23).
What are the key properties of N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-(2-methylphenoxy)butanamide?
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-(2-methylphenoxy)butanamide has a molecular weight of 331.39 g/mol, XLogP of 3.14, 8 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-(2-methylphenoxy)butanamide is sourced from PubChem (CID 111565790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).