1-[(2R)-2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]propanoyl]imidazolidin-2-one

C20H21F2N3O3 — CID 8830970

IUPAC1-[(2R)-2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]propanoyl]imidazolidin-2-one
SMILESC[C@@H](N[C@H](c1ccccc1)c1ccc(OC(F)F)cc1)C(=O)N1CCNC1=O
InChIInChI=1S/C20H21F2N3O3/c1-13(18(26)25-12-11-23-20(25)27)24-17(14-5-3-2-4-6-14)15-7-9-16(10-8-15)28-19(21)22/h2-10,13,17,19,24H,11-12H2,1H3,(H,23,27)/t13-,17-/m1/s1
InChIKeyZUWDMTZIOXYZNY-CXAGYDPISA-N
MW389.40 g/mol
LogP2.91
Rot. Bonds7

About 1-[(2R)-2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]propanoyl]imidazolidin-2-one

1-[(2R)-2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]propanoyl]imidazolidin-2-one (PubChem CID 8830970) has the molecular formula C20H21F2N3O3 and a molecular weight of 389.40 g/mol. Its IUPAC name is 1-[(2R)-2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]propanoyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(2R)-2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]propanoyl]imidazolidin-2-one
PubChem CID8830970
Molecular FormulaC20H21F2N3O3
Molecular Weight389.40 g/mol
Exact Mass389.16
IUPAC Name1-[(2R)-2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]propanoyl]imidazolidin-2-one
SMILESC[C@@H](N[C@H](c1ccccc1)c1ccc(OC(F)F)cc1)C(=O)N1CCNC1=O
InChIInChI=1S/C20H21F2N3O3/c1-13(18(26)25-12-11-23-20(25)27)24-17(14-5-3-2-4-6-14)15-7-9-16(10-8-15)28-19(21)22/h2-10,13,17,19,24H,11-12H2,1H3,(H,23,27)/t13-,17-/m1/s1
InChIKeyZUWDMTZIOXYZNY-CXAGYDPISA-N
XLogP2.91
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.40
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(2R)-2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]propanoyl]imidazolidin-2-one with MolForge

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Related Compounds

[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium
CID 8830957
1-[2-[1-[4-(difluoromethoxy)phenyl]ethylamino]acetyl]imidazolidin-2-one
CID 102553814
1-[2-[[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]amino]acetyl]imidazolidin-2-one
CID 99776660
(2S)-N-cyclopropyl-2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]propanamide
CID 8830559
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(difluoromethoxy)benzoate
CID 18091292
1-[(2R)-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]propanoyl]imidazolidin-2-one
CID 8869687
1-[2-(4-phenylanilino)propanoyl]imidazolidin-2-one
CID 47010755
4-[(2S)-2-(benzhydrylamino)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 8596462
1-[(2R)-2-[[(1R)-1-(4-bromophenyl)propyl]amino]propanoyl]imidazolidin-2-one
CID 8643765
1-[(2S)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]propanoyl]imidazolidin-2-one
CID 8922587
N-[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]-5-oxo-1,4-diazepane-1-carboxamide
CID 95762713
1-[(2S)-2-[2-(phenoxymethyl)anilino]propanoyl]imidazolidin-2-one
CID 94644112

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]propanoyl]imidazolidin-2-one?
The IUPAC name of 1-[(2R)-2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]propanoyl]imidazolidin-2-one (CID 8830970) is 1-[(2R)-2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]propanoyl]imidazolidin-2-one.
What is the SMILES notation for 1-[(2R)-2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]propanoyl]imidazolidin-2-one?
The canonical SMILES for 1-[(2R)-2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]propanoyl]imidazolidin-2-one is C[C@@H](N[C@H](c1ccccc1)c1ccc(OC(F)F)cc1)C(=O)N1CCNC1=O.
What is the InChIKey of 1-[(2R)-2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]propanoyl]imidazolidin-2-one?
The InChIKey is ZUWDMTZIOXYZNY-CXAGYDPISA-N. The full InChI is InChI=1S/C20H21F2N3O3/c1-13(18(26)25-12-11-23-20(25)27)24-17(14-5-3-2-4-6-14)15-7-9-16(10-8-15)28-19(21)22/h2-10,13,17,19,24H,11-12H2,1H3,(H,23,27)/t13-,17-/m1/s1.
What are the key properties of 1-[(2R)-2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]propanoyl]imidazolidin-2-one?
1-[(2R)-2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]propanoyl]imidazolidin-2-one has a molecular weight of 389.40 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]propanoyl]imidazolidin-2-one is sourced from PubChem (CID 8830970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).