2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide

C19H26ClFN4O3 — CID 5307864

IUPAC2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide
SMILESO=C(CN1CCN(Cc2ccc(F)cc2Cl)C1=O)NCCCN1CCOCC1
InChIInChI=1S/C19H26ClFN4O3/c20-17-12-16(21)3-2-15(17)13-24-6-7-25(19(24)27)14-18(26)22-4-1-5-23-8-10-28-11-9-23/h2-3,12H,1,4-11,13-14H2,(H,22,26)
InChIKeyQSHKEUJVZPEKIW-UHFFFAOYSA-N
MW412.89 g/mol
LogP1.56
Rot. Bonds8

About 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide

2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide (PubChem CID 5307864) has the molecular formula C19H26ClFN4O3 and a molecular weight of 412.89 g/mol. Its IUPAC name is 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide
PubChem CID5307864
Molecular FormulaC19H26ClFN4O3
Molecular Weight412.89 g/mol
Exact Mass412.17
IUPAC Name2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide
SMILESO=C(CN1CCN(Cc2ccc(F)cc2Cl)C1=O)NCCCN1CCOCC1
InChIInChI=1S/C19H26ClFN4O3/c20-17-12-16(21)3-2-15(17)13-24-6-7-25(19(24)27)14-18(26)22-4-1-5-23-8-10-28-11-9-23/h2-3,12H,1,4-11,13-14H2,(H,22,26)
InChIKeyQSHKEUJVZPEKIW-UHFFFAOYSA-N
XLogP1.56
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.89
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-propylacetamide
CID 87049831
2-[3-[(2-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 15994320
2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide
CID 6621641
2-[3-[(2-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 20851363
2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-cycloheptylacetamide
CID 46249807
2-(2-chloro-4-fluorophenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 35161239
2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 16878776
2-[1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 91823037
4-fluoro-2-methyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 115745095
1-[(Z)-1-(2-chloro-4-fluorophenyl)ethylideneamino]-3-(3-morpholin-4-ylpropyl)thiourea
CID 8826452
4-fluoro-N-(3-morpholin-4-ylpropyl)-2-nitrobenzamide
CID 21240823
N,N'-bis(3-morpholin-4-ylpropyl)propanediamide
CID 21205309

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
The IUPAC name of 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide (CID 5307864) is 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide is O=C(CN1CCN(Cc2ccc(F)cc2Cl)C1=O)NCCCN1CCOCC1.
What is the InChIKey of 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
The InChIKey is QSHKEUJVZPEKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClFN4O3/c20-17-12-16(21)3-2-15(17)13-24-6-7-25(19(24)27)14-18(26)22-4-1-5-23-8-10-28-11-9-23/h2-3,12H,1,4-11,13-14H2,(H,22,26).
What are the key properties of 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide has a molecular weight of 412.89 g/mol, XLogP of 1.56, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 5307864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).