3-[(4-fluorophenyl)methylamino]-N-[(4-methoxyphenyl)methyl]propanamide

C18H21FN2O2 — CID 109021164

IUPAC3-[(4-fluorophenyl)methylamino]-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CNC(=O)CCNCc2ccc(F)cc2)cc1
InChIInChI=1S/C18H21FN2O2/c1-23-17-8-4-15(5-9-17)13-21-18(22)10-11-20-12-14-2-6-16(19)7-3-14/h2-9,20H,10-13H2,1H3,(H,21,22)
InChIKeyAIDXSMWBUMBLHR-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.63
Rot. Bonds8

About 3-[(4-fluorophenyl)methylamino]-N-[(4-methoxyphenyl)methyl]propanamide

3-[(4-fluorophenyl)methylamino]-N-[(4-methoxyphenyl)methyl]propanamide (PubChem CID 109021164) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methylamino]-N-[(4-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methylamino]-N-[(4-methoxyphenyl)methyl]propanamide
PubChem CID109021164
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name3-[(4-fluorophenyl)methylamino]-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CNC(=O)CCNCc2ccc(F)cc2)cc1
InChIInChI=1S/C18H21FN2O2/c1-23-17-8-4-15(5-9-17)13-21-18(22)10-11-20-12-14-2-6-16(19)7-3-14/h2-9,20H,10-13H2,1H3,(H,21,22)
InChIKeyAIDXSMWBUMBLHR-UHFFFAOYSA-N
XLogP2.63
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022421
N-[(2-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109020684
N-[2-(4-methoxyphenyl)ethyl]-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022424
N-[(3,4-dimethoxyphenyl)methyl]-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022434
N-butyl-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109012203
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309
3-[(4-fluorophenyl)methylamino]-N-[(3-methylphenyl)methyl]propanamide
CID 109019416
N-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022433
3-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 18107472
N-[(4-methoxyphenyl)methyl]-3-(4-methylanilino)propanamide
CID 8833236
N-[(4-methoxyphenyl)methyl]-4-oxopentanamide
CID 60636923
N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 108538633

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methylamino]-N-[(4-methoxyphenyl)methyl]propanamide?
The IUPAC name of 3-[(4-fluorophenyl)methylamino]-N-[(4-methoxyphenyl)methyl]propanamide (CID 109021164) is 3-[(4-fluorophenyl)methylamino]-N-[(4-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-[(4-fluorophenyl)methylamino]-N-[(4-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-[(4-fluorophenyl)methylamino]-N-[(4-methoxyphenyl)methyl]propanamide is COc1ccc(CNC(=O)CCNCc2ccc(F)cc2)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methylamino]-N-[(4-methoxyphenyl)methyl]propanamide?
The InChIKey is AIDXSMWBUMBLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-23-17-8-4-15(5-9-17)13-21-18(22)10-11-20-12-14-2-6-16(19)7-3-14/h2-9,20H,10-13H2,1H3,(H,21,22).
What are the key properties of 3-[(4-fluorophenyl)methylamino]-N-[(4-methoxyphenyl)methyl]propanamide?
3-[(4-fluorophenyl)methylamino]-N-[(4-methoxyphenyl)methyl]propanamide has a molecular weight of 316.38 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methylamino]-N-[(4-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 109021164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).