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

C17H17ClN2O2 — CID 108907198

IUPAC1-(5-chloro-2-methoxyphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea
SMILESCOc1ccc(Cl)cc1NC(=O)N/C=C/c1ccc(C)cc1
InChIInChI=1S/C17H17ClN2O2/c1-12-3-5-13(6-4-12)9-10-19-17(21)20-15-11-14(18)7-8-16(15)22-2/h3-11H,1-2H3,(H2,19,20,21)/b10-9+
InChIKeyZMUMCVNCFCUVSP-MDZDMXLPSA-N
MW316.79 g/mol
LogP4.45
Rot. Bonds4

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

1-(5-chloro-2-methoxyphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea (PubChem CID 108907198) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea
PubChem CID108907198
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea
SMILESCOc1ccc(Cl)cc1NC(=O)N/C=C/c1ccc(C)cc1
InChIInChI=1S/C17H17ClN2O2/c1-12-3-5-13(6-4-12)9-10-19-17(21)20-15-11-14(18)7-8-16(15)22-2/h3-11H,1-2H3,(H2,19,20,21)/b10-9+
InChIKeyZMUMCVNCFCUVSP-MDZDMXLPSA-N
XLogP4.45
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethoxyphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea
CID 108907165
1-(2-methoxy-5-methylphenyl)-3-[(E)-prop-1-enyl]urea
CID 108909499
1-(5-chloro-2-methylphenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea
CID 108908002
1-(5-chloro-2-methoxyphenyl)-3-(2,4,6-trimethylphenyl)urea
CID 108875486
N-(5-chloro-2-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 881730
1-(5-chloro-2-methoxyphenyl)-3-[(E)-2-methylbut-1-enyl]urea
CID 108914204
1-(2-methoxy-5-nitrophenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea
CID 108907831
N-(5-chloro-2-methoxyphenyl)-2-methyl-2-(4-methylphenyl)propanamide
CID 113198111
N-(5-chloro-2-methoxyphenyl)-2-fluoro-4-methylbenzamide
CID 79770618
(E)-N-(5-chloro-2-methoxyphenyl)-3-(3-methylphenyl)prop-2-enamide
CID 8763498
1-(5-chloro-2-methoxyphenyl)-3-(oxan-4-ylidenemethyl)urea
CID 108913085
1-(2-amino-5-methylphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea
CID 108907850

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea (CID 108907198) is 1-(5-chloro-2-methoxyphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea is COc1ccc(Cl)cc1NC(=O)N/C=C/c1ccc(C)cc1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea?
The InChIKey is ZMUMCVNCFCUVSP-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-12-3-5-13(6-4-12)9-10-19-17(21)20-15-11-14(18)7-8-16(15)22-2/h3-11H,1-2H3,(H2,19,20,21)/b10-9+.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea?
1-(5-chloro-2-methoxyphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea has a molecular weight of 316.79 g/mol, XLogP of 4.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea is sourced from PubChem (CID 108907198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).