(1E)-1-[(2,6-difluorophenyl)methylidene]-3-(4-nonoxyphenyl)urea

C23H28F2N2O2 — CID 142272576

IUPAC(1E)-1-[(2,6-difluorophenyl)methylidene]-3-(4-nonoxyphenyl)urea
SMILESCCCCCCCCCOc1ccc(NC(=O)/N=C/c2c(F)cccc2F)cc1
InChIInChI=1S/C23H28F2N2O2/c1-2-3-4-5-6-7-8-16-29-19-14-12-18(13-15-19)27-23(28)26-17-20-21(24)10-9-11-22(20)25/h9-15,17H,2-8,16H2,1H3,(H,27,28)/b26-17+
InChIKeyNUFLMMIEXMKRFQ-YZSQISJMSA-N
MW402.49 g/mol
LogP6.75
Rot. Bonds11

About (1E)-1-[(2,6-difluorophenyl)methylidene]-3-(4-nonoxyphenyl)urea

(1E)-1-[(2,6-difluorophenyl)methylidene]-3-(4-nonoxyphenyl)urea (PubChem CID 142272576) has the molecular formula C23H28F2N2O2 and a molecular weight of 402.49 g/mol. Its IUPAC name is (1E)-1-[(2,6-difluorophenyl)methylidene]-3-(4-nonoxyphenyl)urea.

Molecular Properties

Compound Name(1E)-1-[(2,6-difluorophenyl)methylidene]-3-(4-nonoxyphenyl)urea
PubChem CID142272576
Molecular FormulaC23H28F2N2O2
Molecular Weight402.49 g/mol
Exact Mass402.21
IUPAC Name(1E)-1-[(2,6-difluorophenyl)methylidene]-3-(4-nonoxyphenyl)urea
SMILESCCCCCCCCCOc1ccc(NC(=O)/N=C/c2c(F)cccc2F)cc1
InChIInChI=1S/C23H28F2N2O2/c1-2-3-4-5-6-7-8-16-29-19-14-12-18(13-15-19)27-23(28)26-17-20-21(24)10-9-11-22(20)25/h9-15,17H,2-8,16H2,1H3,(H,27,28)/b26-17+
InChIKeyNUFLMMIEXMKRFQ-YZSQISJMSA-N
XLogP6.75
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.49
LogP ≤ 56.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (1E)-1-[(2,6-difluorophenyl)methylidene]-3-(4-nonoxyphenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(E)-(4-fluorophenyl)methylideneamino] N-(4-undecoxyphenyl)carbamate
CID 20872766
N-(4-decoxyphenyl)butanamide
CID 143303175
N-(2-fluorophenyl)-2-(4-heptoxyanilino)acetamide
CID 54821927
N-[4-[[4-[(4-hexoxyphenyl)diazenyl]phenyl]diazenyl]phenyl]acetamide
CID 126491954
(3E)-1-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methylidene]urea
CID 142272573
3-butoxy-N-(4-heptoxyphenyl)benzamide
CID 4956588
N-(4-hexoxyphenyl)pyridine-2-carboxamide
CID 17353110
N-(4-dodecoxyphenyl)-2-[(E)-(4-fluorophenyl)methylideneamino]oxyacetamide
CID 142272575
5-(4-hexoxyanilino)-5-oxopentanoic acid
CID 4939430
N-[4-(4-pentoxybutoxy)phenyl]acetamide
CID 142679131
N-(4-hydroxyphenyl)-N'-(4-octadecoxyphenyl)propanediamide
CID 18983779
(propan-2-ylideneamino) N-(4-nonoxyphenyl)carbamate
CID 20872821

Frequently Asked Questions

What is the IUPAC name of (1E)-1-[(2,6-difluorophenyl)methylidene]-3-(4-nonoxyphenyl)urea?
The IUPAC name of (1E)-1-[(2,6-difluorophenyl)methylidene]-3-(4-nonoxyphenyl)urea (CID 142272576) is (1E)-1-[(2,6-difluorophenyl)methylidene]-3-(4-nonoxyphenyl)urea.
What is the SMILES notation for (1E)-1-[(2,6-difluorophenyl)methylidene]-3-(4-nonoxyphenyl)urea?
The canonical SMILES for (1E)-1-[(2,6-difluorophenyl)methylidene]-3-(4-nonoxyphenyl)urea is CCCCCCCCCOc1ccc(NC(=O)/N=C/c2c(F)cccc2F)cc1.
What is the InChIKey of (1E)-1-[(2,6-difluorophenyl)methylidene]-3-(4-nonoxyphenyl)urea?
The InChIKey is NUFLMMIEXMKRFQ-YZSQISJMSA-N. The full InChI is InChI=1S/C23H28F2N2O2/c1-2-3-4-5-6-7-8-16-29-19-14-12-18(13-15-19)27-23(28)26-17-20-21(24)10-9-11-22(20)25/h9-15,17H,2-8,16H2,1H3,(H,27,28)/b26-17+.
What are the key properties of (1E)-1-[(2,6-difluorophenyl)methylidene]-3-(4-nonoxyphenyl)urea?
(1E)-1-[(2,6-difluorophenyl)methylidene]-3-(4-nonoxyphenyl)urea has a molecular weight of 402.49 g/mol, XLogP of 6.75, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-[(2,6-difluorophenyl)methylidene]-3-(4-nonoxyphenyl)urea is sourced from PubChem (CID 142272576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).