3-[4-(2-fluorophenyl)phenoxy]-N-(4-hydroxyphenyl)propanamide

C21H18FNO3 — CID 138674441

IUPAC3-[4-(2-fluorophenyl)phenoxy]-N-(4-hydroxyphenyl)propanamide
SMILESO=C(CCOc1ccc(-c2ccccc2F)cc1)Nc1ccc(O)cc1
InChIInChI=1S/C21H18FNO3/c22-20-4-2-1-3-19(20)15-5-11-18(12-6-15)26-14-13-21(25)23-16-7-9-17(24)10-8-16/h1-12,24H,13-14H2,(H,23,25)
InChIKeyIIIUSNDTCCEELC-UHFFFAOYSA-N
MW351.38 g/mol
LogP4.61
Rot. Bonds6

About 3-[4-(2-fluorophenyl)phenoxy]-N-(4-hydroxyphenyl)propanamide

3-[4-(2-fluorophenyl)phenoxy]-N-(4-hydroxyphenyl)propanamide (PubChem CID 138674441) has the molecular formula C21H18FNO3 and a molecular weight of 351.38 g/mol. Its IUPAC name is 3-[4-(2-fluorophenyl)phenoxy]-N-(4-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name3-[4-(2-fluorophenyl)phenoxy]-N-(4-hydroxyphenyl)propanamide
PubChem CID138674441
Molecular FormulaC21H18FNO3
Molecular Weight351.38 g/mol
Exact Mass351.13
IUPAC Name3-[4-(2-fluorophenyl)phenoxy]-N-(4-hydroxyphenyl)propanamide
SMILESO=C(CCOc1ccc(-c2ccccc2F)cc1)Nc1ccc(O)cc1
InChIInChI=1S/C21H18FNO3/c22-20-4-2-1-3-19(20)15-5-11-18(12-6-15)26-14-13-21(25)23-16-7-9-17(24)10-8-16/h1-12,24H,13-14H2,(H,23,25)
InChIKeyIIIUSNDTCCEELC-UHFFFAOYSA-N
XLogP4.61
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(2-fluorophenyl)anilino]-N-(4-hydroxyphenyl)propanamide
CID 138674608
3-(4-methylphenoxy)-N-(4-phenylphenyl)propanamide
CID 18276176
N-[4-(2,6-difluoroanilino)phenyl]-3-phenoxypropanamide
CID 112990218
3-phenoxy-N-(4-phenoxyphenyl)propanamide
CID 108795457
3-(4-fluorophenoxy)-N-(4-methylphenyl)propanamide
CID 31855578
3-(4-methylphenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 7963977
3-(2-fluorophenoxy)-N-(4-fluorophenyl)propanamide
CID 47097682
3-(4-fluorophenoxy)-N-(2-fluorophenyl)propanamide
CID 38765188
4-[4-(2-fluorophenyl)phenyl]-N-(4-methylphenyl)butanamide
CID 162181441
3-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]propanamide
CID 43700453
4-(3-anilino-3-oxopropoxy)benzoic acid
CID 43243922
4-(4-fluorophenoxy)-N-phenylbutanamide
CID 60723715

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-fluorophenyl)phenoxy]-N-(4-hydroxyphenyl)propanamide?
The IUPAC name of 3-[4-(2-fluorophenyl)phenoxy]-N-(4-hydroxyphenyl)propanamide (CID 138674441) is 3-[4-(2-fluorophenyl)phenoxy]-N-(4-hydroxyphenyl)propanamide.
What is the SMILES notation for 3-[4-(2-fluorophenyl)phenoxy]-N-(4-hydroxyphenyl)propanamide?
The canonical SMILES for 3-[4-(2-fluorophenyl)phenoxy]-N-(4-hydroxyphenyl)propanamide is O=C(CCOc1ccc(-c2ccccc2F)cc1)Nc1ccc(O)cc1.
What is the InChIKey of 3-[4-(2-fluorophenyl)phenoxy]-N-(4-hydroxyphenyl)propanamide?
The InChIKey is IIIUSNDTCCEELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO3/c22-20-4-2-1-3-19(20)15-5-11-18(12-6-15)26-14-13-21(25)23-16-7-9-17(24)10-8-16/h1-12,24H,13-14H2,(H,23,25).
What are the key properties of 3-[4-(2-fluorophenyl)phenoxy]-N-(4-hydroxyphenyl)propanamide?
3-[4-(2-fluorophenyl)phenoxy]-N-(4-hydroxyphenyl)propanamide has a molecular weight of 351.38 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-fluorophenyl)phenoxy]-N-(4-hydroxyphenyl)propanamide is sourced from PubChem (CID 138674441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).