N-[(3-fluorophenyl)methyl]-N-methyl-4-phenoxybutanamide

C18H20FNO2 — CID 86975850

IUPACN-[(3-fluorophenyl)methyl]-N-methyl-4-phenoxybutanamide
SMILESCN(Cc1cccc(F)c1)C(=O)CCCOc1ccccc1
InChIInChI=1S/C18H20FNO2/c1-20(14-15-7-5-8-16(19)13-15)18(21)11-6-12-22-17-9-3-2-4-10-17/h2-5,7-10,13H,6,11-12,14H2,1H3
InChIKeyDFHCUCPHGBELTC-UHFFFAOYSA-N
MW301.36 g/mol
LogP3.64
Rot. Bonds7

About N-[(3-fluorophenyl)methyl]-N-methyl-4-phenoxybutanamide

N-[(3-fluorophenyl)methyl]-N-methyl-4-phenoxybutanamide (PubChem CID 86975850) has the molecular formula C18H20FNO2 and a molecular weight of 301.36 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-N-methyl-4-phenoxybutanamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-N-methyl-4-phenoxybutanamide
PubChem CID86975850
Molecular FormulaC18H20FNO2
Molecular Weight301.36 g/mol
Exact Mass301.15
IUPAC NameN-[(3-fluorophenyl)methyl]-N-methyl-4-phenoxybutanamide
SMILESCN(Cc1cccc(F)c1)C(=O)CCCOc1ccccc1
InChIInChI=1S/C18H20FNO2/c1-20(14-15-7-5-8-16(19)13-15)18(21)11-6-12-22-17-9-3-2-4-10-17/h2-5,7-10,13H,6,11-12,14H2,1H3
InChIKeyDFHCUCPHGBELTC-UHFFFAOYSA-N
XLogP3.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-fluorophenyl)methyl]-N-methyl-4-phenoxybutanamide
CID 78770382
2-[(3-fluorophenyl)methyl-methylamino]-N-methyl-N-(3-phenoxypropyl)acetamide
CID 78894500
5-chloro-N-[(3-fluorophenyl)methyl]-N-methylpentanamide
CID 28971589
4-(3-fluorophenoxy)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
CID 55929431
4-amino-N-[(3-fluorophenyl)methyl]-N-methylbutanamide;hydrochloride
CID 119267070
N-benzyl-2-(3-fluorophenoxy)-N-methylacetamide
CID 110755450
N-[(3-fluorophenyl)methyl]-N-methyl-3-methylsulfonylpropanamide
CID 78851523
N-methyl-4-phenoxy-N-(quinolin-3-ylmethyl)butanamide
CID 110745516
N-[(3-fluorophenyl)methyl]-2-methoxy-N-methylacetamide
CID 60636361
4-(4-acetylphenoxy)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 78892329
4-chloro-N-[2-(3-fluorophenoxy)ethyl]-N-methylbutanamide
CID 63307611
N-[(3-fluorophenyl)methyl]-N-methyl-2-(4-propan-2-ylphenoxy)acetamide
CID 112778017

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-N-methyl-4-phenoxybutanamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-N-methyl-4-phenoxybutanamide (CID 86975850) is N-[(3-fluorophenyl)methyl]-N-methyl-4-phenoxybutanamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-N-methyl-4-phenoxybutanamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-N-methyl-4-phenoxybutanamide is CN(Cc1cccc(F)c1)C(=O)CCCOc1ccccc1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-N-methyl-4-phenoxybutanamide?
The InChIKey is DFHCUCPHGBELTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO2/c1-20(14-15-7-5-8-16(19)13-15)18(21)11-6-12-22-17-9-3-2-4-10-17/h2-5,7-10,13H,6,11-12,14H2,1H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-N-methyl-4-phenoxybutanamide?
N-[(3-fluorophenyl)methyl]-N-methyl-4-phenoxybutanamide has a molecular weight of 301.36 g/mol, XLogP of 3.64, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-N-methyl-4-phenoxybutanamide is sourced from PubChem (CID 86975850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).