N-benzyl-N-ethyl-3-[2-(2-fluorophenyl)ethylamino]propanamide

C20H25FN2O — CID 109022875

IUPACN-benzyl-N-ethyl-3-[2-(2-fluorophenyl)ethylamino]propanamide
SMILESCCN(Cc1ccccc1)C(=O)CCNCCc1ccccc1F
InChIInChI=1S/C20H25FN2O/c1-2-23(16-17-8-4-3-5-9-17)20(24)13-15-22-14-12-18-10-6-7-11-19(18)21/h3-11,22H,2,12-16H2,1H3
InChIKeyZOFFDSPHLIYVRK-UHFFFAOYSA-N
MW328.43 g/mol
LogP3.40
Rot. Bonds9

About N-benzyl-N-ethyl-3-[2-(2-fluorophenyl)ethylamino]propanamide

N-benzyl-N-ethyl-3-[2-(2-fluorophenyl)ethylamino]propanamide (PubChem CID 109022875) has the molecular formula C20H25FN2O and a molecular weight of 328.43 g/mol. Its IUPAC name is N-benzyl-N-ethyl-3-[2-(2-fluorophenyl)ethylamino]propanamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-3-[2-(2-fluorophenyl)ethylamino]propanamide
PubChem CID109022875
Molecular FormulaC20H25FN2O
Molecular Weight328.43 g/mol
Exact Mass328.20
IUPAC NameN-benzyl-N-ethyl-3-[2-(2-fluorophenyl)ethylamino]propanamide
SMILESCCN(Cc1ccccc1)C(=O)CCNCCc1ccccc1F
InChIInChI=1S/C20H25FN2O/c1-2-23(16-17-8-4-3-5-9-17)20(24)13-15-22-14-12-18-10-6-7-11-19(18)21/h3-11,22H,2,12-16H2,1H3
InChIKeyZOFFDSPHLIYVRK-UHFFFAOYSA-N
XLogP3.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-ethyl-3-[2-(2-methoxyphenyl)ethylamino]propanamide
CID 109022877
N-benzyl-3-[2-(4-chlorophenyl)ethylamino]-N-ethylpropanamide
CID 109022888
N-benzyl-N-ethyl-3-(2,3,4-trifluoroanilino)propanamide
CID 109023020
N-benzyl-N-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)propanamide
CID 78811483
N-[3-[benzyl(ethyl)amino]-3-oxopropyl]benzamide
CID 17154440
1-benzyl-1-ethyl-3-[(2-fluorophenyl)methyl]urea
CID 38945345
N-benzyl-N-ethyl-3-(propan-2-ylamino)propanamide
CID 60854868
3-[benzyl-[3-(2-phenylethylamino)propanoyl]amino]propanoic acid
CID 10814125
N,N'-dibenzyl-N,N'-diethylpentanediamide
CID 68902262
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
1-benzyl-3-[2-(2-fluorophenyl)ethyl]-1-(2-methoxyethyl)urea
CID 86931400
3-(2-phenylethylamino)-N,N-dipropylpropanamide
CID 109024274

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-3-[2-(2-fluorophenyl)ethylamino]propanamide?
The IUPAC name of N-benzyl-N-ethyl-3-[2-(2-fluorophenyl)ethylamino]propanamide (CID 109022875) is N-benzyl-N-ethyl-3-[2-(2-fluorophenyl)ethylamino]propanamide.
What is the SMILES notation for N-benzyl-N-ethyl-3-[2-(2-fluorophenyl)ethylamino]propanamide?
The canonical SMILES for N-benzyl-N-ethyl-3-[2-(2-fluorophenyl)ethylamino]propanamide is CCN(Cc1ccccc1)C(=O)CCNCCc1ccccc1F.
What is the InChIKey of N-benzyl-N-ethyl-3-[2-(2-fluorophenyl)ethylamino]propanamide?
The InChIKey is ZOFFDSPHLIYVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O/c1-2-23(16-17-8-4-3-5-9-17)20(24)13-15-22-14-12-18-10-6-7-11-19(18)21/h3-11,22H,2,12-16H2,1H3.
What are the key properties of N-benzyl-N-ethyl-3-[2-(2-fluorophenyl)ethylamino]propanamide?
N-benzyl-N-ethyl-3-[2-(2-fluorophenyl)ethylamino]propanamide has a molecular weight of 328.43 g/mol, XLogP of 3.40, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-3-[2-(2-fluorophenyl)ethylamino]propanamide is sourced from PubChem (CID 109022875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).