3-amino-N-[1-(2,5-difluorophenyl)propyl]-3-phenylpropanamide

C18H20F2N2O — CID 119951958

IUPAC3-amino-N-[1-(2,5-difluorophenyl)propyl]-3-phenylpropanamide
SMILESCCC(NC(=O)CC(N)c1ccccc1)c1cc(F)ccc1F
InChIInChI=1S/C18H20F2N2O/c1-2-17(14-10-13(19)8-9-15(14)20)22-18(23)11-16(21)12-6-4-3-5-7-12/h3-10,16-17H,2,11,21H2,1H3,(H,22,23)
InChIKeyZIVOBDKOAFVYMM-UHFFFAOYSA-N
MW318.37 g/mol
LogP3.62
Rot. Bonds6

About 3-amino-N-[1-(2,5-difluorophenyl)propyl]-3-phenylpropanamide

3-amino-N-[1-(2,5-difluorophenyl)propyl]-3-phenylpropanamide (PubChem CID 119951958) has the molecular formula C18H20F2N2O and a molecular weight of 318.37 g/mol. Its IUPAC name is 3-amino-N-[1-(2,5-difluorophenyl)propyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[1-(2,5-difluorophenyl)propyl]-3-phenylpropanamide
PubChem CID119951958
Molecular FormulaC18H20F2N2O
Molecular Weight318.37 g/mol
Exact Mass318.15
IUPAC Name3-amino-N-[1-(2,5-difluorophenyl)propyl]-3-phenylpropanamide
SMILESCCC(NC(=O)CC(N)c1ccccc1)c1cc(F)ccc1F
InChIInChI=1S/C18H20F2N2O/c1-2-17(14-10-13(19)8-9-15(14)20)22-18(23)11-16(21)12-6-4-3-5-7-12/h3-10,16-17H,2,11,21H2,1H3,(H,22,23)
InChIKeyZIVOBDKOAFVYMM-UHFFFAOYSA-N
XLogP3.62
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[1-(2,5-difluorophenyl)propyl]propanamide
CID 119333169
4-amino-N-[1-(2,5-difluorophenyl)propyl]-3-methoxybutanamide
CID 120593154
(3S)-3-amino-N-[(1S)-1-(4-chlorophenyl)propyl]-3-phenylpropanamide
CID 124684118
3-amino-N-[1-(3-chlorophenyl)propyl]-3-phenylpropanamide;hydrochloride
CID 119949676
(3S)-3-amino-3-(4-fluorophenyl)-N-[(1R)-1-phenylethyl]propanamide
CID 122368235
4-amino-N-[1-(2,4-difluorophenyl)propyl]-3-methoxybutanamide;hydrochloride
CID 120592889
3-amino-N-[1-(2,4-difluorophenyl)propyl]-2-methyl-3-phenylpropanamide
CID 119796287
3-amino-N-[2-(3-fluorophenoxy)butyl]-3-phenylpropanamide;hydrochloride
CID 119952317
3-amino-N-[1-(2,4-difluorophenyl)propyl]propanamide
CID 119330684
(2R)-2-[(3-amino-3-phenylpropanoyl)amino]pentanoic acid
CID 103869978
2-amino-N-[1-(2,4-difluorophenyl)propyl]acetamide
CID 119330686
(3S)-3-amino-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-3-phenylpropanamide
CID 124695441

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(2,5-difluorophenyl)propyl]-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[1-(2,5-difluorophenyl)propyl]-3-phenylpropanamide (CID 119951958) is 3-amino-N-[1-(2,5-difluorophenyl)propyl]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[1-(2,5-difluorophenyl)propyl]-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[1-(2,5-difluorophenyl)propyl]-3-phenylpropanamide is CCC(NC(=O)CC(N)c1ccccc1)c1cc(F)ccc1F.
What is the InChIKey of 3-amino-N-[1-(2,5-difluorophenyl)propyl]-3-phenylpropanamide?
The InChIKey is ZIVOBDKOAFVYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O/c1-2-17(14-10-13(19)8-9-15(14)20)22-18(23)11-16(21)12-6-4-3-5-7-12/h3-10,16-17H,2,11,21H2,1H3,(H,22,23).
What are the key properties of 3-amino-N-[1-(2,5-difluorophenyl)propyl]-3-phenylpropanamide?
3-amino-N-[1-(2,5-difluorophenyl)propyl]-3-phenylpropanamide has a molecular weight of 318.37 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(2,5-difluorophenyl)propyl]-3-phenylpropanamide is sourced from PubChem (CID 119951958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).