1-(2,3,4,5,6-pentafluorophenyl)-3-(5-propoxytetradecyl)urea

C24H37F5N2O2 — CID 150831276

IUPAC1-(2,3,4,5,6-pentafluorophenyl)-3-(5-propoxytetradecyl)urea
SMILESCCCCCCCCCC(CCCCNC(=O)Nc1c(F)c(F)c(F)c(F)c1F)OCCC
InChIInChI=1S/C24H37F5N2O2/c1-3-5-6-7-8-9-10-13-17(33-16-4-2)14-11-12-15-30-24(32)31-23-21(28)19(26)18(25)20(27)22(23)29/h17H,3-16H2,1-2H3,(H2,30,31,32)
InChIKeyKLZZIUXFLCRIPI-UHFFFAOYSA-N
MW480.56 g/mol
LogP7.61
Rot. Bonds17

About 1-(2,3,4,5,6-pentafluorophenyl)-3-(5-propoxytetradecyl)urea

1-(2,3,4,5,6-pentafluorophenyl)-3-(5-propoxytetradecyl)urea (PubChem CID 150831276) has the molecular formula C24H37F5N2O2 and a molecular weight of 480.56 g/mol. Its IUPAC name is 1-(2,3,4,5,6-pentafluorophenyl)-3-(5-propoxytetradecyl)urea.

Molecular Properties

Compound Name1-(2,3,4,5,6-pentafluorophenyl)-3-(5-propoxytetradecyl)urea
PubChem CID150831276
Molecular FormulaC24H37F5N2O2
Molecular Weight480.56 g/mol
Exact Mass480.28
IUPAC Name1-(2,3,4,5,6-pentafluorophenyl)-3-(5-propoxytetradecyl)urea
SMILESCCCCCCCCCC(CCCCNC(=O)Nc1c(F)c(F)c(F)c(F)c1F)OCCC
InChIInChI=1S/C24H37F5N2O2/c1-3-5-6-7-8-9-10-13-17(33-16-4-2)14-11-12-15-30-24(32)31-23-21(28)19(26)18(25)20(27)22(23)29/h17H,3-16H2,1-2H3,(H2,30,31,32)
InChIKeyKLZZIUXFLCRIPI-UHFFFAOYSA-N
XLogP7.61
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.56
LogP ≤ 57.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(2,3,4,5,6-pentafluorophenyl)-3-[5-(tripropoxymethyl)tridecyl]urea
CID 151001293
1-[5-[diethoxy(hydroxy)methyl]tridecyl]-3-(2,3,4,5,6-pentafluorophenyl)urea
CID 151465673
1-[4-[dimethoxy(methyl)silyl]butyl]-3-(2,3,4,5,6-pentafluorophenyl)urea
CID 90172008
1-(2,3,4,5,6-pentafluorophenyl)-3-[4-tri(propan-2-yloxy)silylbutyl]urea
CID 90170840
1-(2,3,4,5,6-pentafluorophenyl)-3-(3-trimethoxysilylpropyl)urea
CID 90174028
1-[2,6-di(propan-2-yl)phenyl]-3-octadecylurea
CID 10434973
1-[3-[ethyl(dimethoxy)silyl]propyl]-3-(2,3,4,5,6-pentafluorophenyl)urea
CID 90184613
2-docosan-10-yloxyethanol
CID 173141834
bis(1-[2-[bis[2-[(2,3,4,5,6-pentafluorophenyl)carbamoylamino]ethyl]amino]ethyl]-3-(2,3,4,5,6-pentafluorophenyl)urea);bis(tetrabutylazanium);carbonate
CID 139181355
1-(4-fluorophenyl)-3-octadecylurea
CID 4518520
(2,3,4,5,6-pentafluorophenyl) N-[5-(trimethoxymethyl)tridecyl]carbamate
CID 152605963
N-(2,3,4,5,6-pentafluorophenyl)undecanamide
CID 3554716

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4,5,6-pentafluorophenyl)-3-(5-propoxytetradecyl)urea?
The IUPAC name of 1-(2,3,4,5,6-pentafluorophenyl)-3-(5-propoxytetradecyl)urea (CID 150831276) is 1-(2,3,4,5,6-pentafluorophenyl)-3-(5-propoxytetradecyl)urea.
What is the SMILES notation for 1-(2,3,4,5,6-pentafluorophenyl)-3-(5-propoxytetradecyl)urea?
The canonical SMILES for 1-(2,3,4,5,6-pentafluorophenyl)-3-(5-propoxytetradecyl)urea is CCCCCCCCCC(CCCCNC(=O)Nc1c(F)c(F)c(F)c(F)c1F)OCCC.
What is the InChIKey of 1-(2,3,4,5,6-pentafluorophenyl)-3-(5-propoxytetradecyl)urea?
The InChIKey is KLZZIUXFLCRIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37F5N2O2/c1-3-5-6-7-8-9-10-13-17(33-16-4-2)14-11-12-15-30-24(32)31-23-21(28)19(26)18(25)20(27)22(23)29/h17H,3-16H2,1-2H3,(H2,30,31,32).
What are the key properties of 1-(2,3,4,5,6-pentafluorophenyl)-3-(5-propoxytetradecyl)urea?
1-(2,3,4,5,6-pentafluorophenyl)-3-(5-propoxytetradecyl)urea has a molecular weight of 480.56 g/mol, XLogP of 7.61, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4,5,6-pentafluorophenyl)-3-(5-propoxytetradecyl)urea is sourced from PubChem (CID 150831276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).