2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-N-(2-phenylpropyl)acetamide

C20H25FN2O2 — CID 47011194

IUPAC2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-N-(2-phenylpropyl)acetamide
SMILESCOc1ccc(C(C)NCC(=O)NCC(C)c2ccccc2)cc1F
InChIInChI=1S/C20H25FN2O2/c1-14(16-7-5-4-6-8-16)12-23-20(24)13-22-15(2)17-9-10-19(25-3)18(21)11-17/h4-11,14-15,22H,12-13H2,1-3H3,(H,23,24)
InChIKeySHWJLYKQLCIUTB-UHFFFAOYSA-N
MW344.43 g/mol
LogP3.40
Rot. Bonds8

About 2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-N-(2-phenylpropyl)acetamide

2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-N-(2-phenylpropyl)acetamide (PubChem CID 47011194) has the molecular formula C20H25FN2O2 and a molecular weight of 344.43 g/mol. Its IUPAC name is 2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-N-(2-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-N-(2-phenylpropyl)acetamide
PubChem CID47011194
Molecular FormulaC20H25FN2O2
Molecular Weight344.43 g/mol
Exact Mass344.19
IUPAC Name2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-N-(2-phenylpropyl)acetamide
SMILESCOc1ccc(C(C)NCC(=O)NCC(C)c2ccccc2)cc1F
InChIInChI=1S/C20H25FN2O2/c1-14(16-7-5-4-6-8-16)12-23-20(24)13-22-15(2)17-9-10-19(25-3)18(21)11-17/h4-11,14-15,22H,12-13H2,1-3H3,(H,23,24)
InChIKeySHWJLYKQLCIUTB-UHFFFAOYSA-N
XLogP3.40
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-N-(2-phenylpropyl)acetamide 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

2-[1-(3,4-dimethoxyphenyl)ethylamino]-N-(2-phenylpropyl)acetamide
CID 20994903
N-cyclopropyl-2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]acetamide
CID 43401121
2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-N,N-dimethylacetamide
CID 43214750
(2R)-1-[1-(3-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol
CID 103906950
N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2,2-diphenylacetamide
CID 9051417
(1S)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-phenylethanamine
CID 81350523
2-chloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]prop-2-en-1-amine
CID 115575005
2-fluoro-N-[2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 17406382
2-methoxy-N-[2-oxo-2-(2-phenylpropylamino)ethyl]benzamide
CID 42910698
2-[[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 9001809
N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2-phenoxyacetamide
CID 9051371
2-[[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]ethanol
CID 29039036

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-N-(2-phenylpropyl)acetamide?
The IUPAC name of 2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-N-(2-phenylpropyl)acetamide (CID 47011194) is 2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-N-(2-phenylpropyl)acetamide.
What is the SMILES notation for 2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-N-(2-phenylpropyl)acetamide?
The canonical SMILES for 2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-N-(2-phenylpropyl)acetamide is COc1ccc(C(C)NCC(=O)NCC(C)c2ccccc2)cc1F.
What is the InChIKey of 2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-N-(2-phenylpropyl)acetamide?
The InChIKey is SHWJLYKQLCIUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O2/c1-14(16-7-5-4-6-8-16)12-23-20(24)13-22-15(2)17-9-10-19(25-3)18(21)11-17/h4-11,14-15,22H,12-13H2,1-3H3,(H,23,24).
What are the key properties of 2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-N-(2-phenylpropyl)acetamide?
2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-N-(2-phenylpropyl)acetamide has a molecular weight of 344.43 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-N-(2-phenylpropyl)acetamide is sourced from PubChem (CID 47011194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).