1-[2-[1-[4-(difluoromethoxy)phenyl]ethylamino]acetyl]imidazolidin-2-one

C14H17F2N3O3 — CID 102553814

IUPAC1-[2-[1-[4-(difluoromethoxy)phenyl]ethylamino]acetyl]imidazolidin-2-one
SMILESCC(NCC(=O)N1CCNC1=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C14H17F2N3O3/c1-9(10-2-4-11(5-3-10)22-13(15)16)18-8-12(20)19-7-6-17-14(19)21/h2-5,9,13,18H,6-8H2,1H3,(H,17,21)
InChIKeyOZGQLJWZLYFTTK-UHFFFAOYSA-N
MW313.30 g/mol
LogP1.49
Rot. Bonds6

About 1-[2-[1-[4-(difluoromethoxy)phenyl]ethylamino]acetyl]imidazolidin-2-one

1-[2-[1-[4-(difluoromethoxy)phenyl]ethylamino]acetyl]imidazolidin-2-one (PubChem CID 102553814) has the molecular formula C14H17F2N3O3 and a molecular weight of 313.30 g/mol. Its IUPAC name is 1-[2-[1-[4-(difluoromethoxy)phenyl]ethylamino]acetyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[1-[4-(difluoromethoxy)phenyl]ethylamino]acetyl]imidazolidin-2-one
PubChem CID102553814
Molecular FormulaC14H17F2N3O3
Molecular Weight313.30 g/mol
Exact Mass313.12
IUPAC Name1-[2-[1-[4-(difluoromethoxy)phenyl]ethylamino]acetyl]imidazolidin-2-one
SMILESCC(NCC(=O)N1CCNC1=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C14H17F2N3O3/c1-9(10-2-4-11(5-3-10)22-13(15)16)18-8-12(20)19-7-6-17-14(19)21/h2-5,9,13,18H,6-8H2,1H3,(H,17,21)
InChIKeyOZGQLJWZLYFTTK-UHFFFAOYSA-N
XLogP1.49
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.30
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]amino]acetyl]imidazolidin-2-one
CID 99776660
1-[(2R)-2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]propanoyl]imidazolidin-2-one
CID 8830970
1-[2-[[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]acetyl]imidazolidin-2-one
CID 9001576
2-[[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]amino]-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanone
CID 97333586
[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium
CID 8830957
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(difluoromethoxy)benzoate
CID 18091292
N-[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]-5-oxo-1,4-diazepane-1-carboxamide
CID 95762713
N-[2-[1-[4-(difluoromethoxy)phenyl]ethylamino]ethyl]-2-methylpropanamide
CID 43103925
1-[2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]acetyl]imidazolidin-2-one
CID 8970835
3-[1-[4-(difluoromethoxy)phenyl]ethylamino]-2-hydroxypropanamide
CID 106171785
3-[1-[4-(difluoromethoxy)phenyl]ethylamino]-2-methylpropan-1-ol
CID 65031608
4-[1-[4-(difluoromethoxy)phenyl]ethylamino]butanoic acid
CID 54920730

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-[4-(difluoromethoxy)phenyl]ethylamino]acetyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[1-[4-(difluoromethoxy)phenyl]ethylamino]acetyl]imidazolidin-2-one (CID 102553814) is 1-[2-[1-[4-(difluoromethoxy)phenyl]ethylamino]acetyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[1-[4-(difluoromethoxy)phenyl]ethylamino]acetyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[1-[4-(difluoromethoxy)phenyl]ethylamino]acetyl]imidazolidin-2-one is CC(NCC(=O)N1CCNC1=O)c1ccc(OC(F)F)cc1.
What is the InChIKey of 1-[2-[1-[4-(difluoromethoxy)phenyl]ethylamino]acetyl]imidazolidin-2-one?
The InChIKey is OZGQLJWZLYFTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O3/c1-9(10-2-4-11(5-3-10)22-13(15)16)18-8-12(20)19-7-6-17-14(19)21/h2-5,9,13,18H,6-8H2,1H3,(H,17,21).
What are the key properties of 1-[2-[1-[4-(difluoromethoxy)phenyl]ethylamino]acetyl]imidazolidin-2-one?
1-[2-[1-[4-(difluoromethoxy)phenyl]ethylamino]acetyl]imidazolidin-2-one has a molecular weight of 313.30 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-[4-(difluoromethoxy)phenyl]ethylamino]acetyl]imidazolidin-2-one is sourced from PubChem (CID 102553814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).