3-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-phenylpropanamide

C19H23FN2O — CID 119950245

IUPAC3-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-phenylpropanamide
SMILESCCN(C(=O)CC(N)c1ccccc1)C(C)c1ccc(F)cc1
InChIInChI=1S/C19H23FN2O/c1-3-22(14(2)15-9-11-17(20)12-10-15)19(23)13-18(21)16-7-5-4-6-8-16/h4-12,14,18H,3,13,21H2,1-2H3
InChIKeyLUBWLVYBEBRMMY-UHFFFAOYSA-N
MW314.40 g/mol
LogP3.83
Rot. Bonds6

About 3-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-phenylpropanamide

3-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-phenylpropanamide (PubChem CID 119950245) has the molecular formula C19H23FN2O and a molecular weight of 314.40 g/mol. Its IUPAC name is 3-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-phenylpropanamide
PubChem CID119950245
Molecular FormulaC19H23FN2O
Molecular Weight314.40 g/mol
Exact Mass314.18
IUPAC Name3-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-phenylpropanamide
SMILESCCN(C(=O)CC(N)c1ccccc1)C(C)c1ccc(F)cc1
InChIInChI=1S/C19H23FN2O/c1-3-22(14(2)15-9-11-17(20)12-10-15)19(23)13-18(21)16-7-5-4-6-8-16/h4-12,14,18H,3,13,21H2,1-2H3
InChIKeyLUBWLVYBEBRMMY-UHFFFAOYSA-N
XLogP3.83
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-ethyl-3-phenyl-N-propan-2-ylpropanamide;hydrochloride
CID 119949409
3-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119737212
5-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]hexanamide
CID 82852194
ethyl 4-[ethyl-[1-(4-fluorophenyl)ethyl]amino]-4-oxobutanoate
CID 60795014
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-4-methylpentanamide
CID 78892655
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-oxobutanamide
CID 54876478
N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 60794877
3-chloro-N-ethyl-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 54875564
3-amino-N-ethyl-N-methyl-3-phenylpropanamide
CID 43263469
2-[(3-amino-3-phenylpropanoyl)-propan-2-ylamino]acetic acid
CID 61160864
(3S)-3-amino-3-(4-fluorophenyl)-N-[(1R)-1-phenylethyl]propanamide
CID 122368235
2-(4-aminophenyl)-N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide;hydrochloride
CID 119737208

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-phenylpropanamide?
The IUPAC name of 3-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-phenylpropanamide (CID 119950245) is 3-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-phenylpropanamide is CCN(C(=O)CC(N)c1ccccc1)C(C)c1ccc(F)cc1.
What is the InChIKey of 3-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-phenylpropanamide?
The InChIKey is LUBWLVYBEBRMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O/c1-3-22(14(2)15-9-11-17(20)12-10-15)19(23)13-18(21)16-7-5-4-6-8-16/h4-12,14,18H,3,13,21H2,1-2H3.
What are the key properties of 3-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-phenylpropanamide?
3-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-phenylpropanamide has a molecular weight of 314.40 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-phenylpropanamide is sourced from PubChem (CID 119950245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).