1-[(2S)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]propanoyl]imidazolidin-2-one

C14H17F2N3O2 — CID 8689076

IUPAC1-[(2S)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]propanoyl]imidazolidin-2-one
SMILESC[C@H](N[C@H](C)c1ccc(F)cc1F)C(=O)N1CCNC1=O
InChIInChI=1S/C14H17F2N3O2/c1-8(11-4-3-10(15)7-12(11)16)18-9(2)13(20)19-6-5-17-14(19)21/h3-4,7-9,18H,5-6H2,1-2H3,(H,17,21)/t8-,9+/m1/s1
InChIKeyMDLANKTYLZKDRM-BDAKNGLRSA-N
MW297.31 g/mol
LogP1.56
Rot. Bonds4

About 1-[(2S)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]propanoyl]imidazolidin-2-one

1-[(2S)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]propanoyl]imidazolidin-2-one (PubChem CID 8689076) has the molecular formula C14H17F2N3O2 and a molecular weight of 297.31 g/mol. Its IUPAC name is 1-[(2S)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]propanoyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(2S)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]propanoyl]imidazolidin-2-one
PubChem CID8689076
Molecular FormulaC14H17F2N3O2
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC Name1-[(2S)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]propanoyl]imidazolidin-2-one
SMILESC[C@H](N[C@H](C)c1ccc(F)cc1F)C(=O)N1CCNC1=O
InChIInChI=1S/C14H17F2N3O2/c1-8(11-4-3-10(15)7-12(11)16)18-9(2)13(20)19-6-5-17-14(19)21/h3-4,7-9,18H,5-6H2,1-2H3,(H,17,21)/t8-,9+/m1/s1
InChIKeyMDLANKTYLZKDRM-BDAKNGLRSA-N
XLogP1.56
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(2S)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]propanoyl]imidazolidin-2-one with MolForge

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Related Compounds

[(1R)-1-(2,4-difluorophenyl)ethyl]-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium
CID 9369442
1-[(2R)-2-(2,5-difluorophenyl)sulfanylpropanoyl]imidazolidin-2-one
CID 9062916
N-cyclopropyl-2-[1-(2,4-difluorophenyl)ethylamino]propanamide
CID 78754103
1-(2,4-difluorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]ethanamine
CID 43680818
2-[1-(2,4-difluorophenyl)ethylamino]-N-propylpropanamide
CID 43226798
1-[(2S)-2-(4-chloroanilino)propanoyl]imidazolidin-2-one
CID 39975330
2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 63068169
(2S)-2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 8688227
(1S)-N-[1-(2,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81347108
1-[2-[1-(2,5-difluorophenyl)ethyl-methylamino]acetyl]imidazolidin-2-one
CID 56815809
1-[(2R)-2-[[(1R)-1-(4-bromophenyl)propyl]amino]propanoyl]imidazolidin-2-one
CID 8643765
N-[1-(2,4-difluorophenyl)ethyl]-2-oxopropanamide
CID 70339940

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]propanoyl]imidazolidin-2-one?
The IUPAC name of 1-[(2S)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]propanoyl]imidazolidin-2-one (CID 8689076) is 1-[(2S)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]propanoyl]imidazolidin-2-one.
What is the SMILES notation for 1-[(2S)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]propanoyl]imidazolidin-2-one?
The canonical SMILES for 1-[(2S)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]propanoyl]imidazolidin-2-one is C[C@H](N[C@H](C)c1ccc(F)cc1F)C(=O)N1CCNC1=O.
What is the InChIKey of 1-[(2S)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]propanoyl]imidazolidin-2-one?
The InChIKey is MDLANKTYLZKDRM-BDAKNGLRSA-N. The full InChI is InChI=1S/C14H17F2N3O2/c1-8(11-4-3-10(15)7-12(11)16)18-9(2)13(20)19-6-5-17-14(19)21/h3-4,7-9,18H,5-6H2,1-2H3,(H,17,21)/t8-,9+/m1/s1.
What are the key properties of 1-[(2S)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]propanoyl]imidazolidin-2-one?
1-[(2S)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]propanoyl]imidazolidin-2-one has a molecular weight of 297.31 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]propanoyl]imidazolidin-2-one is sourced from PubChem (CID 8689076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).