N-[(2-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methylamino]propanamide

C18H21FN2O2 — CID 109020684

IUPACN-[(2-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methylamino]propanamide
SMILESCOc1ccc(CNCCC(=O)NCc2ccccc2F)cc1
InChIInChI=1S/C18H21FN2O2/c1-23-16-8-6-14(7-9-16)12-20-11-10-18(22)21-13-15-4-2-3-5-17(15)19/h2-9,20H,10-13H2,1H3,(H,21,22)
InChIKeyZGHHIJUUTSNXKC-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.63
Rot. Bonds8

About N-[(2-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methylamino]propanamide

N-[(2-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methylamino]propanamide (PubChem CID 109020684) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methylamino]propanamide
PubChem CID109020684
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC NameN-[(2-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methylamino]propanamide
SMILESCOc1ccc(CNCCC(=O)NCc2ccccc2F)cc1
InChIInChI=1S/C18H21FN2O2/c1-23-16-8-6-14(7-9-16)12-20-11-10-18(22)21-13-15-4-2-3-5-17(15)19/h2-9,20H,10-13H2,1H3,(H,21,22)
InChIKeyZGHHIJUUTSNXKC-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'}

Analyze N-[(2-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methylamino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(4-fluorophenyl)methylamino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 109021164
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
CID 8808388
2-(2-fluorophenyl)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]acetamide
CID 48502002
3-[2-(3,4-dimethoxyphenyl)ethylamino]-N-[(2-fluorophenyl)methyl]propanamide
CID 109020704
N-[(2-fluorophenyl)methyl]-3-[2-(2-methoxyphenyl)ethylamino]propanamide
CID 109020694
3-[2-(2-fluorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 109021953
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 9201290
N-[2-(4-methoxyphenyl)ethyl]-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022424
N-[2-(4-fluorophenyl)ethyl]-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022421
2-[[N-[(2-fluorophenyl)methyl]-N'-methylcarbamimidoyl]amino]-N-[(4-methoxyphenyl)methyl]acetamide;hydroiodide
CID 111265662
N-butyl-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109012203
N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 7758239

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methylamino]propanamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methylamino]propanamide (CID 109020684) is N-[(2-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methylamino]propanamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methylamino]propanamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methylamino]propanamide is COc1ccc(CNCCC(=O)NCc2ccccc2F)cc1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methylamino]propanamide?
The InChIKey is ZGHHIJUUTSNXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-23-16-8-6-14(7-9-16)12-20-11-10-18(22)21-13-15-4-2-3-5-17(15)19/h2-9,20H,10-13H2,1H3,(H,21,22).
What are the key properties of N-[(2-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methylamino]propanamide?
N-[(2-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methylamino]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 N-[(2-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methylamino]propanamide is sourced from PubChem (CID 109020684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).