(3E)-1-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methylidene]urea

C16H15FN2O2 — CID 142272573

IUPAC(3E)-1-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methylidene]urea
SMILESCCOc1ccc(NC(=O)/N=C/c2ccc(F)cc2)cc1
InChIInChI=1S/C16H15FN2O2/c1-2-21-15-9-7-14(8-10-15)19-16(20)18-11-12-3-5-13(17)6-4-12/h3-11H,2H2,1H3,(H,19,20)/b18-11+
InChIKeyLRFQNUYJASWGHA-WOJGMQOQSA-N
MW286.31 g/mol
LogP3.88
Rot. Bonds4

About (3E)-1-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methylidene]urea

(3E)-1-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methylidene]urea (PubChem CID 142272573) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is (3E)-1-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methylidene]urea.

Molecular Properties

Compound Name(3E)-1-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methylidene]urea
PubChem CID142272573
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name(3E)-1-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methylidene]urea
SMILESCCOc1ccc(NC(=O)/N=C/c2ccc(F)cc2)cc1
InChIInChI=1S/C16H15FN2O2/c1-2-21-15-9-7-14(8-10-15)19-16(20)18-11-12-3-5-13(17)6-4-12/h3-11H,2H2,1H3,(H,19,20)/b18-11+
InChIKeyLRFQNUYJASWGHA-WOJGMQOQSA-N
XLogP3.88
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3E)-1-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methylidene]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

N-(4-ethoxyphenyl)-N'-(4-fluorophenyl)propanediamide
CID 108954809
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide
CID 5416855
(E)-N-[(4-ethoxyphenyl)carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide
CID 920816
N-(4-ethoxyphenyl)-2-(4-fluorophenyl)acetamide
CID 2289388
N-(4-fluorophenyl)-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide
CID 8988930
[(E)-(4-fluorophenyl)methylideneamino] N-(4-butoxyphenyl)carbamate
CID 20872751
2-cyano-N-(4-ethoxyphenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 5025351
4-ethoxy-N-[(4-fluorophenyl)methylideneamino]benzenesulfonamide
CID 2643152
N-[4-[(4-ethoxyphenyl)methylideneamino]phenyl]propanamide
CID 835020
1-N,4-N-bis[(4-ethoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 4674929
[(E)-(4-fluorophenyl)methylideneamino] N-(4-undecoxyphenyl)carbamate
CID 20872766
N'-(4-ethoxyphenyl)-N-[(4-fluorophenyl)methyl]oxamide
CID 2202978

Frequently Asked Questions

What is the IUPAC name of (3E)-1-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methylidene]urea?
The IUPAC name of (3E)-1-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methylidene]urea (CID 142272573) is (3E)-1-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methylidene]urea.
What is the SMILES notation for (3E)-1-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methylidene]urea?
The canonical SMILES for (3E)-1-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methylidene]urea is CCOc1ccc(NC(=O)/N=C/c2ccc(F)cc2)cc1.
What is the InChIKey of (3E)-1-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methylidene]urea?
The InChIKey is LRFQNUYJASWGHA-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H15FN2O2/c1-2-21-15-9-7-14(8-10-15)19-16(20)18-11-12-3-5-13(17)6-4-12/h3-11H,2H2,1H3,(H,19,20)/b18-11+.
What are the key properties of (3E)-1-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methylidene]urea?
(3E)-1-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methylidene]urea has a molecular weight of 286.31 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-1-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methylidene]urea is sourced from PubChem (CID 142272573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).