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

C18H20FNO2 — CID 78770382

IUPACN-[(4-fluorophenyl)methyl]-N-methyl-4-phenoxybutanamide
SMILESCN(Cc1ccc(F)cc1)C(=O)CCCOc1ccccc1
InChIInChI=1S/C18H20FNO2/c1-20(14-15-9-11-16(19)12-10-15)18(21)8-5-13-22-17-6-3-2-4-7-17/h2-4,6-7,9-12H,5,8,13-14H2,1H3
InChIKeyGQKJEYRVSMCEGC-UHFFFAOYSA-N
MW301.36 g/mol
LogP3.64
Rot. Bonds7

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

N-[(4-fluorophenyl)methyl]-N-methyl-4-phenoxybutanamide (PubChem CID 78770382) has the molecular formula C18H20FNO2 and a molecular weight of 301.36 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-methyl-4-phenoxybutanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-methyl-4-phenoxybutanamide
PubChem CID78770382
Molecular FormulaC18H20FNO2
Molecular Weight301.36 g/mol
Exact Mass301.15
IUPAC NameN-[(4-fluorophenyl)methyl]-N-methyl-4-phenoxybutanamide
SMILESCN(Cc1ccc(F)cc1)C(=O)CCCOc1ccccc1
InChIInChI=1S/C18H20FNO2/c1-20(14-15-9-11-16(19)12-10-15)18(21)8-5-13-22-17-6-3-2-4-7-17/h2-4,6-7,9-12H,5,8,13-14H2,1H3
InChIKeyGQKJEYRVSMCEGC-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-[(3-fluorophenyl)methyl]-N-methyl-4-phenoxybutanamide
CID 86975850
N-methyl-3-phenoxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 112791829
2-[4-(4-fluorophenoxy)butanoyl-methylamino]acetic acid
CID 43356123
4-(3-fluorophenoxy)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
CID 55929431
N-methyl-3-phenoxy-N-(pyridin-4-ylmethyl)propanamide
CID 110724771
3-amino-N-[(4-fluorophenyl)methyl]-N-methylpropanamide
CID 39242618
N-[4-[(4-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide
CID 51181138
N-methyl-4-phenoxy-N-(quinolin-3-ylmethyl)butanamide
CID 110745516
[2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-phenoxybutanoate
CID 55304647
3-(4-aminophenoxy)-N-benzyl-N-methylpropanamide
CID 61089874
N-butyl-4-(4-fluorophenoxy)-N-methylbutanamide
CID 110487595
1-benzyl-3-[4-(4-fluorophenoxy)butyl]-1-methylurea
CID 33403769

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-4-phenoxybutanamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-4-phenoxybutanamide (CID 78770382) is N-[(4-fluorophenyl)methyl]-N-methyl-4-phenoxybutanamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-methyl-4-phenoxybutanamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-methyl-4-phenoxybutanamide is CN(Cc1ccc(F)cc1)C(=O)CCCOc1ccccc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-methyl-4-phenoxybutanamide?
The InChIKey is GQKJEYRVSMCEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO2/c1-20(14-15-9-11-16(19)12-10-15)18(21)8-5-13-22-17-6-3-2-4-7-17/h2-4,6-7,9-12H,5,8,13-14H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-methyl-4-phenoxybutanamide?
N-[(4-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-[(4-fluorophenyl)methyl]-N-methyl-4-phenoxybutanamide is sourced from PubChem (CID 78770382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).