1-(2-fluoroethyl)-3-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]urea

C22H37FN2O — CID 10316739

IUPAC1-(2-fluoroethyl)-3-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]urea
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCNC(=O)NCCF
InChIInChI=1S/C22H37FN2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-24-22(26)25-21-19-23/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21H2,1H3,(H2,24,25,26)/b7-6-,10-9-,13-12-,16-15-
InChIKeyZNDRUZOGIIWDGZ-DOFZRALJSA-N
MW364.55 g/mol
LogP6.01
Rot. Bonds16

About 1-(2-fluoroethyl)-3-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]urea

1-(2-fluoroethyl)-3-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]urea (PubChem CID 10316739) has the molecular formula C22H37FN2O and a molecular weight of 364.55 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-3-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]urea.

Molecular Properties

Compound Name1-(2-fluoroethyl)-3-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]urea
PubChem CID10316739
Molecular FormulaC22H37FN2O
Molecular Weight364.55 g/mol
Exact Mass364.29
IUPAC Name1-(2-fluoroethyl)-3-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]urea
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCNC(=O)NCCF
InChIInChI=1S/C22H37FN2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-24-22(26)25-21-19-23/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21H2,1H3,(H2,24,25,26)/b7-6-,10-9-,13-12-,16-15-
InChIKeyZNDRUZOGIIWDGZ-DOFZRALJSA-N
XLogP6.01
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.55
LogP ≤ 56.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(2-fluoroethyl)-3-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]urea with MolForge

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Related Compounds

1-methyl-3-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]urea
CID 10782834
1-[(Z)-octadec-9-enyl]-3-[6-[[(Z)-octadec-9-enyl]carbamoylamino]hexyl]urea
CID 159541193
2-fluoro-N-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]acetamide
CID 87644126
(5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)nonadeca-5,8,11,14-tetraenamide
CID 34273070
1-octadec-9-enyl-3-propylurea
CID 85374995
1-[(Z)-8-bromooct-5-enyl]-3-pentylurea
CID 89036470
(5Z,8Z,11Z,14Z)-1-fluorohenicosa-5,8,11,14-tetraene
CID 159191741
2-aminoethyl-bis(3-aminopropyl)-[3-[[(11Z,14Z)-2-oxoicosa-11,14-dienyl]carbamoylamino]propyl]azanium
CID 88929101
4-[[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoyl]amino]butanoic acid
CID 44634744
(5E,8E,11E,14E)-N-(3-sulfanylpropyl)icosa-5,8,11,14-tetraenamide
CID 137455017
1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]urea
CID 10027004
1-[(3-hydroxy-4-methoxyphenyl)methyl]-3-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]urea
CID 44589214

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-3-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]urea?
The IUPAC name of 1-(2-fluoroethyl)-3-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]urea (CID 10316739) is 1-(2-fluoroethyl)-3-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]urea.
What is the SMILES notation for 1-(2-fluoroethyl)-3-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]urea?
The canonical SMILES for 1-(2-fluoroethyl)-3-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]urea is CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCNC(=O)NCCF.
What is the InChIKey of 1-(2-fluoroethyl)-3-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]urea?
The InChIKey is ZNDRUZOGIIWDGZ-DOFZRALJSA-N. The full InChI is InChI=1S/C22H37FN2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-24-22(26)25-21-19-23/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21H2,1H3,(H2,24,25,26)/b7-6-,10-9-,13-12-,16-15-.
What are the key properties of 1-(2-fluoroethyl)-3-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]urea?
1-(2-fluoroethyl)-3-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]urea has a molecular weight of 364.55 g/mol, XLogP of 6.01, 16 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-3-[(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl]urea is sourced from PubChem (CID 10316739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).