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

C17H18FNO2 — CID 86919949

IUPAC4-(4-fluorophenoxy)-N-(2-methylphenyl)butanamide
SMILESCc1ccccc1NC(=O)CCCOc1ccc(F)cc1
InChIInChI=1S/C17H18FNO2/c1-13-5-2-3-6-16(13)19-17(20)7-4-12-21-15-10-8-14(18)9-11-15/h2-3,5-6,8-11H,4,7,12H2,1H3,(H,19,20)
InChIKeyRPPQSLKWPZPLBM-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.93
Rot. Bonds6

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

4-(4-fluorophenoxy)-N-(2-methylphenyl)butanamide (PubChem CID 86919949) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is 4-(4-fluorophenoxy)-N-(2-methylphenyl)butanamide.

Molecular Properties

Compound Name4-(4-fluorophenoxy)-N-(2-methylphenyl)butanamide
PubChem CID86919949
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name4-(4-fluorophenoxy)-N-(2-methylphenyl)butanamide
SMILESCc1ccccc1NC(=O)CCCOc1ccc(F)cc1
InChIInChI=1S/C17H18FNO2/c1-13-5-2-3-6-16(13)19-17(20)7-4-12-21-15-10-8-14(18)9-11-15/h2-3,5-6,8-11H,4,7,12H2,1H3,(H,19,20)
InChIKeyRPPQSLKWPZPLBM-UHFFFAOYSA-N
XLogP3.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-ethoxyphenoxy)-N-(2-methylphenyl)butanamide
CID 7946732
4-(2-methylphenoxy)-N-(2-methylphenyl)butanamide
CID 19173284
N-(2-methylphenyl)-3-phenoxypropanamide
CID 725619
4-(4-fluorophenoxy)-N-phenylbutanamide
CID 60723715
4-(4-bromophenoxy)-N-(4-fluoro-2-methylphenyl)butanamide
CID 2526499
3-(4-fluorophenoxy)-N-(2-fluorophenyl)propanamide
CID 38765188
N-(2,3-dichlorophenyl)-4-(4-fluorophenoxy)butanamide
CID 46534875
N-(2-butoxyphenyl)-3-(4-fluorophenoxy)propanamide
CID 55906665
3-(4-fluorophenoxy)-N-(2-methylsulfanylphenyl)propanamide
CID 31891666
4-(3-bromophenoxy)-N-(2-methylphenyl)butanamide
CID 2086539
4-(4-fluorophenoxy)-N-(4-hydroxynaphthalen-1-yl)butanamide
CID 25468956
N-(2-ethoxyphenyl)-3-(4-fluorophenoxy)propanamide
CID 31895143

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenoxy)-N-(2-methylphenyl)butanamide?
The IUPAC name of 4-(4-fluorophenoxy)-N-(2-methylphenyl)butanamide (CID 86919949) is 4-(4-fluorophenoxy)-N-(2-methylphenyl)butanamide.
What is the SMILES notation for 4-(4-fluorophenoxy)-N-(2-methylphenyl)butanamide?
The canonical SMILES for 4-(4-fluorophenoxy)-N-(2-methylphenyl)butanamide is Cc1ccccc1NC(=O)CCCOc1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenoxy)-N-(2-methylphenyl)butanamide?
The InChIKey is RPPQSLKWPZPLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-13-5-2-3-6-16(13)19-17(20)7-4-12-21-15-10-8-14(18)9-11-15/h2-3,5-6,8-11H,4,7,12H2,1H3,(H,19,20).
What are the key properties of 4-(4-fluorophenoxy)-N-(2-methylphenyl)butanamide?
4-(4-fluorophenoxy)-N-(2-methylphenyl)butanamide has a molecular weight of 287.33 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenoxy)-N-(2-methylphenyl)butanamide is sourced from PubChem (CID 86919949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).