1-(4-chlorophenyl)-3-[3-[(Z)-2-(4-methoxyphenyl)ethenyl]phenyl]urea

C22H19ClN2O2 — CID 155520008

IUPAC1-(4-chlorophenyl)-3-[3-[(Z)-2-(4-methoxyphenyl)ethenyl]phenyl]urea
SMILESCOc1ccc(/C=C\c2cccc(NC(=O)Nc3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C22H19ClN2O2/c1-27-21-13-7-16(8-14-21)5-6-17-3-2-4-20(15-17)25-22(26)24-19-11-9-18(23)10-12-19/h2-15H,1H3,(H2,24,25,26)/b6-5-
InChIKeyVGWVPSZVSVONQT-WAYWQWQTSA-N
MW378.86 g/mol
LogP6.16
Rot. Bonds5

About 1-(4-chlorophenyl)-3-[3-[(Z)-2-(4-methoxyphenyl)ethenyl]phenyl]urea

1-(4-chlorophenyl)-3-[3-[(Z)-2-(4-methoxyphenyl)ethenyl]phenyl]urea (PubChem CID 155520008) has the molecular formula C22H19ClN2O2 and a molecular weight of 378.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[3-[(Z)-2-(4-methoxyphenyl)ethenyl]phenyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[3-[(Z)-2-(4-methoxyphenyl)ethenyl]phenyl]urea
PubChem CID155520008
Molecular FormulaC22H19ClN2O2
Molecular Weight378.86 g/mol
Exact Mass378.11
IUPAC Name1-(4-chlorophenyl)-3-[3-[(Z)-2-(4-methoxyphenyl)ethenyl]phenyl]urea
SMILESCOc1ccc(/C=C\c2cccc(NC(=O)Nc3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C22H19ClN2O2/c1-27-21-13-7-16(8-14-21)5-6-17-3-2-4-20(15-17)25-22(26)24-19-11-9-18(23)10-12-19/h2-15H,1H3,(H2,24,25,26)/b6-5-
InChIKeyVGWVPSZVSVONQT-WAYWQWQTSA-N
XLogP6.16
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.86
LogP ≤ 56.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[3-[(Z)-2-(4-methoxyphenyl)ethenyl]phenyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[3-[(Z)-2-(4-methoxyphenyl)ethenyl]phenyl]urea (CID 155520008) is 1-(4-chlorophenyl)-3-[3-[(Z)-2-(4-methoxyphenyl)ethenyl]phenyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[3-[(Z)-2-(4-methoxyphenyl)ethenyl]phenyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[3-[(Z)-2-(4-methoxyphenyl)ethenyl]phenyl]urea is COc1ccc(/C=C\c2cccc(NC(=O)Nc3ccc(Cl)cc3)c2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[3-[(Z)-2-(4-methoxyphenyl)ethenyl]phenyl]urea?
The InChIKey is VGWVPSZVSVONQT-WAYWQWQTSA-N. The full InChI is InChI=1S/C22H19ClN2O2/c1-27-21-13-7-16(8-14-21)5-6-17-3-2-4-20(15-17)25-22(26)24-19-11-9-18(23)10-12-19/h2-15H,1H3,(H2,24,25,26)/b6-5-.
What are the key properties of 1-(4-chlorophenyl)-3-[3-[(Z)-2-(4-methoxyphenyl)ethenyl]phenyl]urea?
1-(4-chlorophenyl)-3-[3-[(Z)-2-(4-methoxyphenyl)ethenyl]phenyl]urea has a molecular weight of 378.86 g/mol, XLogP of 6.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[3-[(Z)-2-(4-methoxyphenyl)ethenyl]phenyl]urea is sourced from PubChem (CID 155520008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).