2-(4-fluorophenoxy)-N-(3-methylphenyl)butanamide

C17H18FNO2 — CID 53284409

IUPAC2-(4-fluorophenoxy)-N-(3-methylphenyl)butanamide
SMILESCCC(Oc1ccc(F)cc1)C(=O)Nc1cccc(C)c1
InChIInChI=1S/C17H18FNO2/c1-3-16(21-15-9-7-13(18)8-10-15)17(20)19-14-6-4-5-12(2)11-14/h4-11,16H,3H2,1-2H3,(H,19,20)
InChIKeyLYIDSPDQDRJUBZ-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.93
Rot. Bonds5

About 2-(4-fluorophenoxy)-N-(3-methylphenyl)butanamide

2-(4-fluorophenoxy)-N-(3-methylphenyl)butanamide (PubChem CID 53284409) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-(3-methylphenyl)butanamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-(3-methylphenyl)butanamide
PubChem CID53284409
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name2-(4-fluorophenoxy)-N-(3-methylphenyl)butanamide
SMILESCCC(Oc1ccc(F)cc1)C(=O)Nc1cccc(C)c1
InChIInChI=1S/C17H18FNO2/c1-3-16(21-15-9-7-13(18)8-10-15)17(20)19-14-6-4-5-12(2)11-14/h4-11,16H,3H2,1-2H3,(H,19,20)
InChIKeyLYIDSPDQDRJUBZ-UHFFFAOYSA-N
XLogP3.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(3-bromophenyl)-2-(4-fluorophenoxy)butanamide
CID 92679949
2-(4-fluorophenoxy)-N-(3-propan-2-yloxyphenyl)butanamide
CID 43876065
(2S)-2-(4-fluorophenoxy)-N-[3-(trifluoromethyl)phenyl]butanamide
CID 28578484
(2R)-2-(4-fluorophenoxy)-N-(3-methylphenyl)propanamide
CID 26218148
(2S)-2-(3-chlorophenoxy)-N-(3-methylphenyl)butanamide
CID 92671807
(2S)-2-(4-fluorophenoxy)-N-(3-prop-2-enoxyphenyl)butanamide
CID 28634034
(2S)-2-(4-fluorophenoxy)-N-(3-nitrophenyl)butanamide
CID 92682200
N-(3,4-difluorophenyl)-2-(3-methylphenoxy)butanamide
CID 43905460
(2S)-N-(3-ethoxyphenyl)-2-(4-methylphenoxy)butanamide
CID 41228638
2-(3-methylphenoxy)-N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 17189216
N-(3-acetylphenyl)-2-(4-methylphenoxy)butanamide
CID 4949978
2-(3-methylphenoxy)-N-[4-[4-[2-(3-methylphenoxy)butanoylamino]phenoxy]phenyl]butanamide
CID 4929418

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-(3-methylphenyl)butanamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-(3-methylphenyl)butanamide (CID 53284409) is 2-(4-fluorophenoxy)-N-(3-methylphenyl)butanamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-(3-methylphenyl)butanamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-(3-methylphenyl)butanamide is CCC(Oc1ccc(F)cc1)C(=O)Nc1cccc(C)c1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-(3-methylphenyl)butanamide?
The InChIKey is LYIDSPDQDRJUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-3-16(21-15-9-7-13(18)8-10-15)17(20)19-14-6-4-5-12(2)11-14/h4-11,16H,3H2,1-2H3,(H,19,20).
What are the key properties of 2-(4-fluorophenoxy)-N-(3-methylphenyl)butanamide?
2-(4-fluorophenoxy)-N-(3-methylphenyl)butanamide has a molecular weight of 287.33 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-(3-methylphenyl)butanamide is sourced from PubChem (CID 53284409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).