N-[3-(3-fluorophenyl)propyl]-2-[3-(hydroxymethyl)phenoxy]propanamide

C19H22FNO3 — CID 109388998

IUPACN-[3-(3-fluorophenyl)propyl]-2-[3-(hydroxymethyl)phenoxy]propanamide
SMILESCC(Oc1cccc(CO)c1)C(=O)NCCCc1cccc(F)c1
InChIInChI=1S/C19H22FNO3/c1-14(24-18-9-3-6-16(12-18)13-22)19(23)21-10-4-7-15-5-2-8-17(20)11-15/h2-3,5-6,8-9,11-12,14,22H,4,7,10,13H2,1H3,(H,21,23)
InChIKeyCPWKCXZGEUQQNO-UHFFFAOYSA-N
MW331.39 g/mol
LogP2.83
Rot. Bonds8

About N-[3-(3-fluorophenyl)propyl]-2-[3-(hydroxymethyl)phenoxy]propanamide

N-[3-(3-fluorophenyl)propyl]-2-[3-(hydroxymethyl)phenoxy]propanamide (PubChem CID 109388998) has the molecular formula C19H22FNO3 and a molecular weight of 331.39 g/mol. Its IUPAC name is N-[3-(3-fluorophenyl)propyl]-2-[3-(hydroxymethyl)phenoxy]propanamide.

Molecular Properties

Compound NameN-[3-(3-fluorophenyl)propyl]-2-[3-(hydroxymethyl)phenoxy]propanamide
PubChem CID109388998
Molecular FormulaC19H22FNO3
Molecular Weight331.39 g/mol
Exact Mass331.16
IUPAC NameN-[3-(3-fluorophenyl)propyl]-2-[3-(hydroxymethyl)phenoxy]propanamide
SMILESCC(Oc1cccc(CO)c1)C(=O)NCCCc1cccc(F)c1
InChIInChI=1S/C19H22FNO3/c1-14(24-18-9-3-6-16(12-18)13-22)19(23)21-10-4-7-15-5-2-8-17(20)11-15/h2-3,5-6,8-9,11-12,14,22H,4,7,10,13H2,1H3,(H,21,23)
InChIKeyCPWKCXZGEUQQNO-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
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

(2R)-2-(4-fluorophenoxy)-N-[3-(3-methoxyphenyl)propyl]propanamide
CID 95172603
N-(3-fluorophenyl)-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 110884938
N-benzyl-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388625
2-(4-bromophenoxy)-N-[3-(3-methoxyphenyl)propyl]propanamide
CID 132659559
(2R)-2-(3-chlorophenoxy)-N-[3-(3-methylphenyl)propyl]propanamide
CID 92677886
2-(3-fluorophenoxy)-N-(2-methoxyethyl)propanamide
CID 60675242
2-(2-methoxyphenoxy)-N-[3-(3-propan-2-yloxyphenyl)propyl]propanamide
CID 132655789
2-[3-(2-aminoethyl)phenoxy]-N-(3-methoxypropyl)propanamide
CID 60904827
N-[(3-chloro-4-fluorophenyl)methyl]-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388957
N-[1-(2,5-difluorophenyl)propyl]-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109389051
(2S)-2-(2,3-dimethylphenoxy)-N-[3-(3-methoxyphenyl)propyl]propanamide
CID 28572831
N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388806

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-fluorophenyl)propyl]-2-[3-(hydroxymethyl)phenoxy]propanamide?
The IUPAC name of N-[3-(3-fluorophenyl)propyl]-2-[3-(hydroxymethyl)phenoxy]propanamide (CID 109388998) is N-[3-(3-fluorophenyl)propyl]-2-[3-(hydroxymethyl)phenoxy]propanamide.
What is the SMILES notation for N-[3-(3-fluorophenyl)propyl]-2-[3-(hydroxymethyl)phenoxy]propanamide?
The canonical SMILES for N-[3-(3-fluorophenyl)propyl]-2-[3-(hydroxymethyl)phenoxy]propanamide is CC(Oc1cccc(CO)c1)C(=O)NCCCc1cccc(F)c1.
What is the InChIKey of N-[3-(3-fluorophenyl)propyl]-2-[3-(hydroxymethyl)phenoxy]propanamide?
The InChIKey is CPWKCXZGEUQQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO3/c1-14(24-18-9-3-6-16(12-18)13-22)19(23)21-10-4-7-15-5-2-8-17(20)11-15/h2-3,5-6,8-9,11-12,14,22H,4,7,10,13H2,1H3,(H,21,23).
What are the key properties of N-[3-(3-fluorophenyl)propyl]-2-[3-(hydroxymethyl)phenoxy]propanamide?
N-[3-(3-fluorophenyl)propyl]-2-[3-(hydroxymethyl)phenoxy]propanamide has a molecular weight of 331.39 g/mol, XLogP of 2.83, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-fluorophenyl)propyl]-2-[3-(hydroxymethyl)phenoxy]propanamide is sourced from PubChem (CID 109388998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).