2-(4-fluorophenoxy)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide

C18H20FNO2 — CID 9296856

IUPAC2-(4-fluorophenoxy)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
SMILESCC[C@H](NC(=O)COc1ccc(F)cc1)c1ccc(C)cc1
InChIInChI=1S/C18H20FNO2/c1-3-17(14-6-4-13(2)5-7-14)20-18(21)12-22-16-10-8-15(19)9-11-16/h4-11,17H,3,12H2,1-2H3,(H,20,21)/t17-/m0/s1
InChIKeyCZIUKQWZMQUWLZ-KRWDZBQOSA-N
MW301.36 g/mol
LogP3.78
Rot. Bonds6

About 2-(4-fluorophenoxy)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide

2-(4-fluorophenoxy)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide (PubChem CID 9296856) has the molecular formula C18H20FNO2 and a molecular weight of 301.36 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
PubChem CID9296856
Molecular FormulaC18H20FNO2
Molecular Weight301.36 g/mol
Exact Mass301.15
IUPAC Name2-(4-fluorophenoxy)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
SMILESCC[C@H](NC(=O)COc1ccc(F)cc1)c1ccc(C)cc1
InChIInChI=1S/C18H20FNO2/c1-3-17(14-6-4-13(2)5-7-14)20-18(21)12-22-16-10-8-15(19)9-11-16/h4-11,17H,3,12H2,1-2H3,(H,20,21)/t17-/m0/s1
InChIKeyCZIUKQWZMQUWLZ-KRWDZBQOSA-N
XLogP3.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791342
2-(4-methoxyphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 8910299
2-(4-ethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 94843764
N-[(1S)-1-(4-methylphenyl)propyl]-2-phenoxyacetamide
CID 27754182
4-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethoxy]benzamide
CID 7931267
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 2632446
2-(4-methoxyphenoxy)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 46763951
3-[[2-(4-ethoxyphenoxy)acetyl]amino]-3-(4-fluorophenyl)propanoic acid
CID 45431827
2-(4-chloro-3-methylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 7794652
2-(4-chloro-3-methylphenoxy)-N-[1-(4-methylphenyl)propyl]acetamide
CID 17328371
2-methoxy-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 94014639
2-(4-fluorophenoxy)-N-[1-(4-methylphenyl)propyl]propanamide
CID 17328401

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide (CID 9296856) is 2-(4-fluorophenoxy)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide is CC[C@H](NC(=O)COc1ccc(F)cc1)c1ccc(C)cc1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide?
The InChIKey is CZIUKQWZMQUWLZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H20FNO2/c1-3-17(14-6-4-13(2)5-7-14)20-18(21)12-22-16-10-8-15(19)9-11-16/h4-11,17H,3,12H2,1-2H3,(H,20,21)/t17-/m0/s1.
What are the key properties of 2-(4-fluorophenoxy)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide?
2-(4-fluorophenoxy)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide has a molecular weight of 301.36 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide is sourced from PubChem (CID 9296856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).