2-(2-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]propanamide

C19H22FNO3 — CID 111110453

IUPAC2-(2-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]propanamide
SMILESCc1cccc(OCC(O)CNC(=O)C(C)c2ccccc2F)c1
InChIInChI=1S/C19H22FNO3/c1-13-6-5-7-16(10-13)24-12-15(22)11-21-19(23)14(2)17-8-3-4-9-18(17)20/h3-10,14-15,22H,11-12H2,1-2H3,(H,21,23)
InChIKeyYDMNGIOURRJMKQ-UHFFFAOYSA-N
MW331.39 g/mol
LogP2.79
Rot. Bonds7

About 2-(2-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]propanamide

2-(2-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]propanamide (PubChem CID 111110453) has the molecular formula C19H22FNO3 and a molecular weight of 331.39 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]propanamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]propanamide
PubChem CID111110453
Molecular FormulaC19H22FNO3
Molecular Weight331.39 g/mol
Exact Mass331.16
IUPAC Name2-(2-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]propanamide
SMILESCc1cccc(OCC(O)CNC(=O)C(C)c2ccccc2F)c1
InChIInChI=1S/C19H22FNO3/c1-13-6-5-7-16(10-13)24-12-15(22)11-21-19(23)14(2)17-8-3-4-9-18(17)20/h3-10,14-15,22H,11-12H2,1-2H3,(H,21,23)
InChIKeyYDMNGIOURRJMKQ-UHFFFAOYSA-N
XLogP2.79
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-difluorophenyl)-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea
CID 110931993
(E)-4-(2-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]but-3-enamide
CID 111830233
(2S)-2-amino-N-[2-hydroxy-3-(3-methylphenoxy)propyl]-3,3-dimethylbutanamide
CID 119751623
1-(4-fluorophenyl)-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea
CID 110904652
1-benzyl-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea
CID 110904579
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2-(2-fluorophenyl)propanamide
CID 111451334
3-(3-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]butanamide
CID 111422356
2-(4-chlorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]acetamide
CID 110904498
N-[2-hydroxy-3-(3-methylphenoxy)propyl]-2,5-dimethylfuran-3-carboxamide
CID 110904505
1-(2,3-dimethylphenyl)-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea
CID 110907958
1-(3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 4728846
methyl 2-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]propanoate
CID 61499402

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]propanamide?
The IUPAC name of 2-(2-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]propanamide (CID 111110453) is 2-(2-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]propanamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]propanamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]propanamide is Cc1cccc(OCC(O)CNC(=O)C(C)c2ccccc2F)c1.
What is the InChIKey of 2-(2-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]propanamide?
The InChIKey is YDMNGIOURRJMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO3/c1-13-6-5-7-16(10-13)24-12-15(22)11-21-19(23)14(2)17-8-3-4-9-18(17)20/h3-10,14-15,22H,11-12H2,1-2H3,(H,21,23).
What are the key properties of 2-(2-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]propanamide?
2-(2-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]propanamide has a molecular weight of 331.39 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]propanamide is sourced from PubChem (CID 111110453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).