1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea

C17H16ClFN2O2 — CID 108906343

IUPAC1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea
SMILESCOc1cc(Cl)c(C)cc1NC(=O)N/C=C/c1cccc(F)c1
InChIInChI=1S/C17H16ClFN2O2/c1-11-8-15(16(23-2)10-14(11)18)21-17(22)20-7-6-12-4-3-5-13(19)9-12/h3-10H,1-2H3,(H2,20,21,22)/b7-6+
InChIKeyCYMNVGUOXYBACU-VOTSOKGWSA-N
MW334.78 g/mol
LogP4.59
Rot. Bonds4

About 1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea

1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea (PubChem CID 108906343) has the molecular formula C17H16ClFN2O2 and a molecular weight of 334.78 g/mol. Its IUPAC name is 1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea.

Molecular Properties

Compound Name1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea
PubChem CID108906343
Molecular FormulaC17H16ClFN2O2
Molecular Weight334.78 g/mol
Exact Mass334.09
IUPAC Name1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea
SMILESCOc1cc(Cl)c(C)cc1NC(=O)N/C=C/c1cccc(F)c1
InChIInChI=1S/C17H16ClFN2O2/c1-11-8-15(16(23-2)10-14(11)18)21-17(22)20-7-6-12-4-3-5-13(19)9-12/h3-10H,1-2H3,(H2,20,21,22)/b7-6+
InChIKeyCYMNVGUOXYBACU-VOTSOKGWSA-N
XLogP4.59
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.78
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea
CID 108904481
1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(3-fluorophenyl)methyl]urea
CID 108898583
1-(4-chloro-2-methoxy-5-methylphenyl)-3-[2-(3-fluorophenoxy)ethyl]urea
CID 112970434
1-(2-ethyl-6-methylphenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea
CID 108906142
1-(4-chloro-2-methoxy-5-methylphenyl)-3-(3-chloro-2-methylphenyl)urea
CID 108991794
1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(E)-2-cyclohexylethenyl]urea
CID 108912284
1-(2,4-dichlorophenyl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
CID 108905710
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(4-fluorophenyl)oxamide
CID 108512659
1-(5-chloro-2-methoxyphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea
CID 108907198
1-(2-fluorophenyl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
CID 108905825
N-(4-chloro-2-methoxy-5-methylphenyl)-2,6-dihydroxybenzamide
CID 107688924
N-(4-chloro-2-methoxy-5-methylphenyl)-N'-(2,6-dichlorophenyl)oxamide
CID 108532298

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea?
The IUPAC name of 1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea (CID 108906343) is 1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea.
What is the SMILES notation for 1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea?
The canonical SMILES for 1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea is COc1cc(Cl)c(C)cc1NC(=O)N/C=C/c1cccc(F)c1.
What is the InChIKey of 1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea?
The InChIKey is CYMNVGUOXYBACU-VOTSOKGWSA-N. The full InChI is InChI=1S/C17H16ClFN2O2/c1-11-8-15(16(23-2)10-14(11)18)21-17(22)20-7-6-12-4-3-5-13(19)9-12/h3-10H,1-2H3,(H2,20,21,22)/b7-6+.
What are the key properties of 1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea?
1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea has a molecular weight of 334.78 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea is sourced from PubChem (CID 108906343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).