2-[(4S)-2,5-dioxo-1-(3,4,5-trifluorophenyl)imidazolidin-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide

C18H21F3N4O4 — CID 110205017

IUPAC2-[(4S)-2,5-dioxo-1-(3,4,5-trifluorophenyl)imidazolidin-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide
SMILESO=C(C[C@@H]1NC(=O)N(c2cc(F)c(F)c(F)c2)C1=O)NCCCN1CCOCC1
InChIInChI=1S/C18H21F3N4O4/c19-12-8-11(9-13(20)16(12)21)25-17(27)14(23-18(25)28)10-15(26)22-2-1-3-24-4-6-29-7-5-24/h8-9,14H,1-7,10H2,(H,22,26)(H,23,28)/t14-/m0/s1
InChIKeyQBOBEWBDCMITIZ-AWEZNQCLSA-N
MW414.38 g/mol
LogP0.76
Rot. Bonds7

About 2-[(4S)-2,5-dioxo-1-(3,4,5-trifluorophenyl)imidazolidin-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide

2-[(4S)-2,5-dioxo-1-(3,4,5-trifluorophenyl)imidazolidin-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide (PubChem CID 110205017) has the molecular formula C18H21F3N4O4 and a molecular weight of 414.38 g/mol. Its IUPAC name is 2-[(4S)-2,5-dioxo-1-(3,4,5-trifluorophenyl)imidazolidin-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-[(4S)-2,5-dioxo-1-(3,4,5-trifluorophenyl)imidazolidin-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide
PubChem CID110205017
Molecular FormulaC18H21F3N4O4
Molecular Weight414.38 g/mol
Exact Mass414.15
IUPAC Name2-[(4S)-2,5-dioxo-1-(3,4,5-trifluorophenyl)imidazolidin-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide
SMILESO=C(C[C@@H]1NC(=O)N(c2cc(F)c(F)c(F)c2)C1=O)NCCCN1CCOCC1
InChIInChI=1S/C18H21F3N4O4/c19-12-8-11(9-13(20)16(12)21)25-17(27)14(23-18(25)28)10-15(26)22-2-1-3-24-4-6-29-7-5-24/h8-9,14H,1-7,10H2,(H,22,26)(H,23,28)/t14-/m0/s1
InChIKeyQBOBEWBDCMITIZ-AWEZNQCLSA-N
XLogP0.76
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.38
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

2-[1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 91823037
2-[(4S)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 39034834
N,N'-bis(3-morpholin-4-ylpropyl)propanediamide
CID 21205309
2-[4-(aminomethyl)cyclohexyl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 63611880
(5S)-3-(4-fluorophenyl)-5-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione
CID 95571346
2-[(2S,5R,6S)-5-[(2,5-difluorophenyl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 54641420
2-[(2S,5S,6S)-5-[(2,5-difluorophenyl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 54641424
2-[(4R)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 99870686
1-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-2-oxopyrrolidine-3-carboxamide
CID 46062378
1-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-(3-morpholin-4-ylpropyl)urea
CID 84586646
2-bromo-N-(3-morpholin-4-ylpropyl)acetamide
CID 52984035
(3S,6aR,8S,10aR)-N-(4-fluorophenyl)-3-hydroxy-8-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
CID 54658711

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-2,5-dioxo-1-(3,4,5-trifluorophenyl)imidazolidin-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
The IUPAC name of 2-[(4S)-2,5-dioxo-1-(3,4,5-trifluorophenyl)imidazolidin-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide (CID 110205017) is 2-[(4S)-2,5-dioxo-1-(3,4,5-trifluorophenyl)imidazolidin-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-[(4S)-2,5-dioxo-1-(3,4,5-trifluorophenyl)imidazolidin-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for 2-[(4S)-2,5-dioxo-1-(3,4,5-trifluorophenyl)imidazolidin-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide is O=C(C[C@@H]1NC(=O)N(c2cc(F)c(F)c(F)c2)C1=O)NCCCN1CCOCC1.
What is the InChIKey of 2-[(4S)-2,5-dioxo-1-(3,4,5-trifluorophenyl)imidazolidin-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
The InChIKey is QBOBEWBDCMITIZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H21F3N4O4/c19-12-8-11(9-13(20)16(12)21)25-17(27)14(23-18(25)28)10-15(26)22-2-1-3-24-4-6-29-7-5-24/h8-9,14H,1-7,10H2,(H,22,26)(H,23,28)/t14-/m0/s1.
What are the key properties of 2-[(4S)-2,5-dioxo-1-(3,4,5-trifluorophenyl)imidazolidin-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
2-[(4S)-2,5-dioxo-1-(3,4,5-trifluorophenyl)imidazolidin-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide has a molecular weight of 414.38 g/mol, XLogP of 0.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-2,5-dioxo-1-(3,4,5-trifluorophenyl)imidazolidin-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 110205017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).