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

C20H24FNO3 — CID 111422356

IUPAC3-(3-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]butanamide
SMILESCc1cccc(OCC(O)CNC(=O)CC(C)c2cccc(F)c2)c1
InChIInChI=1S/C20H24FNO3/c1-14-5-3-8-19(9-14)25-13-18(23)12-22-20(24)10-15(2)16-6-4-7-17(21)11-16/h3-9,11,15,18,23H,10,12-13H2,1-2H3,(H,22,24)
InChIKeyNZHCDMNLBPLNCQ-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.18
Rot. Bonds8

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

3-(3-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]butanamide (PubChem CID 111422356) has the molecular formula C20H24FNO3 and a molecular weight of 345.41 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]butanamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]butanamide
PubChem CID111422356
Molecular FormulaC20H24FNO3
Molecular Weight345.41 g/mol
Exact Mass345.17
IUPAC Name3-(3-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]butanamide
SMILESCc1cccc(OCC(O)CNC(=O)CC(C)c2cccc(F)c2)c1
InChIInChI=1S/C20H24FNO3/c1-14-5-3-8-19(9-14)25-13-18(23)12-22-20(24)10-15(2)16-6-4-7-17(21)11-16/h3-9,11,15,18,23H,10,12-13H2,1-2H3,(H,22,24)
InChIKeyNZHCDMNLBPLNCQ-UHFFFAOYSA-N
XLogP3.18
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea
CID 110904652
1-(2,5-difluorophenyl)-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea
CID 110931993
2-(2-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]propanamide
CID 111110453
methyl 2-(3-fluorophenyl)-3-(3-methylphenoxy)propanoate
CID 117243411
2-(4-chlorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]acetamide
CID 110904498
(2S)-2-amino-N-[2-hydroxy-3-(3-methylphenoxy)propyl]-3,3-dimethylbutanamide
CID 119751623
(E)-4-(2-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]but-3-enamide
CID 111830233
N-[(2S)-3-(3-fluorophenoxy)-2-hydroxypropyl]-2-(2-fluorophenyl)acetamide
CID 94654317
2-[cyclopropyl(methyl)amino]-N-[2-hydroxy-3-(3-methylphenoxy)propyl]acetamide
CID 110911248
1-(2-bromo-5-fluoroanilino)-3-(3-methylphenoxy)propan-2-ol
CID 107635972
1-[1-(5-fluoro-3-pyridinyl)ethylamino]-3-(3-methylphenoxy)propan-2-ol
CID 75382914
3-(3-fluorophenyl)-N-[2-(methylamino)ethyl]butanamide
CID 119501543

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]butanamide?
The IUPAC name of 3-(3-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]butanamide (CID 111422356) is 3-(3-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]butanamide.
What is the SMILES notation for 3-(3-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]butanamide?
The canonical SMILES for 3-(3-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]butanamide is Cc1cccc(OCC(O)CNC(=O)CC(C)c2cccc(F)c2)c1.
What is the InChIKey of 3-(3-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]butanamide?
The InChIKey is NZHCDMNLBPLNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO3/c1-14-5-3-8-19(9-14)25-13-18(23)12-22-20(24)10-15(2)16-6-4-7-17(21)11-16/h3-9,11,15,18,23H,10,12-13H2,1-2H3,(H,22,24).
What are the key properties of 3-(3-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]butanamide?
3-(3-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]butanamide has a molecular weight of 345.41 g/mol, XLogP of 3.18, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]butanamide is sourced from PubChem (CID 111422356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).