1-(2-cyano-4-fluorophenyl)-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea

C17H23FN4O2 — CID 78838978

IUPAC1-(2-cyano-4-fluorophenyl)-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea
SMILESCC(C)CN1CCOC(CNC(=O)Nc2ccc(F)cc2C#N)C1
InChIInChI=1S/C17H23FN4O2/c1-12(2)10-22-5-6-24-15(11-22)9-20-17(23)21-16-4-3-14(18)7-13(16)8-19/h3-4,7,12,15H,5-6,9-11H2,1-2H3,(H2,20,21,23)
InChIKeySQQPAGCZPRHMPL-UHFFFAOYSA-N
MW334.40 g/mol
LogP2.18
Rot. Bonds5

About 1-(2-cyano-4-fluorophenyl)-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea

1-(2-cyano-4-fluorophenyl)-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea (PubChem CID 78838978) has the molecular formula C17H23FN4O2 and a molecular weight of 334.40 g/mol. Its IUPAC name is 1-(2-cyano-4-fluorophenyl)-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea.

Molecular Properties

Compound Name1-(2-cyano-4-fluorophenyl)-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea
PubChem CID78838978
Molecular FormulaC17H23FN4O2
Molecular Weight334.40 g/mol
Exact Mass334.18
IUPAC Name1-(2-cyano-4-fluorophenyl)-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea
SMILESCC(C)CN1CCOC(CNC(=O)Nc2ccc(F)cc2C#N)C1
InChIInChI=1S/C17H23FN4O2/c1-12(2)10-22-5-6-24-15(11-22)9-20-17(23)21-16-4-3-14(18)7-13(16)8-19/h3-4,7,12,15H,5-6,9-11H2,1-2H3,(H2,20,21,23)
InChIKeySQQPAGCZPRHMPL-UHFFFAOYSA-N
XLogP2.18
TPSA77.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2-cyano-4-fluorophenyl)-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea with MolForge

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Related Compounds

1-(4-methylphenyl)-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea
CID 4798763
3-cyano-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 35361039
2,6-difluoro-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 39485652
2-cyano-N-[2-[4-(2-methylpropyl)morpholin-2-yl]ethyl]benzamide
CID 56706355
2-(4-cyanophenoxy)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 51214759
4-acetamido-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 17479762
4-chloro-2-fluoro-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 24642416
1-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-3-(1H-pyrazol-4-yl)urea
CID 94178633
N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2,2-diphenylacetamide
CID 7995361
N-(4-fluorophenyl)-2-[[N'-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]acetamide
CID 111368761
1-(2-cyano-4-fluorophenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
CID 78894519
1-(2-cyano-4-fluorophenyl)-3-(3-hydroxy-4-methylpentyl)urea
CID 111926832

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyano-4-fluorophenyl)-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea?
The IUPAC name of 1-(2-cyano-4-fluorophenyl)-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea (CID 78838978) is 1-(2-cyano-4-fluorophenyl)-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea.
What is the SMILES notation for 1-(2-cyano-4-fluorophenyl)-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea?
The canonical SMILES for 1-(2-cyano-4-fluorophenyl)-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea is CC(C)CN1CCOC(CNC(=O)Nc2ccc(F)cc2C#N)C1.
What is the InChIKey of 1-(2-cyano-4-fluorophenyl)-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea?
The InChIKey is SQQPAGCZPRHMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4O2/c1-12(2)10-22-5-6-24-15(11-22)9-20-17(23)21-16-4-3-14(18)7-13(16)8-19/h3-4,7,12,15H,5-6,9-11H2,1-2H3,(H2,20,21,23).
What are the key properties of 1-(2-cyano-4-fluorophenyl)-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea?
1-(2-cyano-4-fluorophenyl)-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea has a molecular weight of 334.40 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyano-4-fluorophenyl)-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea is sourced from PubChem (CID 78838978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).