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

C16H14Cl2N2O — CID 108908299

IUPAC1-(3-chloro-4-methylphenyl)-3-[(E)-2-(4-chlorophenyl)ethenyl]urea
SMILESCc1ccc(NC(=O)N/C=C/c2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C16H14Cl2N2O/c1-11-2-7-14(10-15(11)18)20-16(21)19-9-8-12-3-5-13(17)6-4-12/h2-10H,1H3,(H2,19,20,21)/b9-8+
InChIKeyARZCBWKBSYRMQO-CMDGGOBGSA-N
MW321.21 g/mol
LogP5.09
Rot. Bonds3

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

1-(3-chloro-4-methylphenyl)-3-[(E)-2-(4-chlorophenyl)ethenyl]urea (PubChem CID 108908299) has the molecular formula C16H14Cl2N2O and a molecular weight of 321.21 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-3-[(E)-2-(4-chlorophenyl)ethenyl]urea.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-3-[(E)-2-(4-chlorophenyl)ethenyl]urea
PubChem CID108908299
Molecular FormulaC16H14Cl2N2O
Molecular Weight321.21 g/mol
Exact Mass320.05
IUPAC Name1-(3-chloro-4-methylphenyl)-3-[(E)-2-(4-chlorophenyl)ethenyl]urea
SMILESCc1ccc(NC(=O)N/C=C/c2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C16H14Cl2N2O/c1-11-2-7-14(10-15(11)18)20-16(21)19-9-8-12-3-5-13(17)6-4-12/h2-10H,1H3,(H2,19,20,21)/b9-8+
InChIKeyARZCBWKBSYRMQO-CMDGGOBGSA-N
XLogP5.09
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.21
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-4-fluorophenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea
CID 108907784
1-(3,4-dichlorophenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea
CID 108907926
1-(5-chloro-2-methylphenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea
CID 108908002
1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(4-ethoxyphenyl)urea
CID 108908387
1-[(E)-2-(4-chlorophenyl)ethenyl]-3-propylurea
CID 108908294
1-(3-chloro-4-hydroxyphenyl)-3-(3-chloro-4-methylphenyl)urea
CID 64787332
1-(3-chloro-4-methylphenyl)-3-(methylamino)urea
CID 126971586
(E)-3-(3-amino-4-fluorophenyl)-N-(3-chloro-4-methylphenyl)prop-2-enamide
CID 39433531
2-(4-chloroanilino)-N-(3-chloro-4-methylphenyl)acetamide
CID 9098971
1-(4-chlorophenyl)-3-(3,4-dimethylphenyl)urea
CID 769283
1-(3-chloro-4-fluorophenyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea
CID 108904433
1-[(E)-2-(4-bromophenyl)ethenyl]-3-(4-methylphenyl)urea
CID 108908655

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-3-[(E)-2-(4-chlorophenyl)ethenyl]urea?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-3-[(E)-2-(4-chlorophenyl)ethenyl]urea (CID 108908299) is 1-(3-chloro-4-methylphenyl)-3-[(E)-2-(4-chlorophenyl)ethenyl]urea.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-3-[(E)-2-(4-chlorophenyl)ethenyl]urea?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-3-[(E)-2-(4-chlorophenyl)ethenyl]urea is Cc1ccc(NC(=O)N/C=C/c2ccc(Cl)cc2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-3-[(E)-2-(4-chlorophenyl)ethenyl]urea?
The InChIKey is ARZCBWKBSYRMQO-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H14Cl2N2O/c1-11-2-7-14(10-15(11)18)20-16(21)19-9-8-12-3-5-13(17)6-4-12/h2-10H,1H3,(H2,19,20,21)/b9-8+.
What are the key properties of 1-(3-chloro-4-methylphenyl)-3-[(E)-2-(4-chlorophenyl)ethenyl]urea?
1-(3-chloro-4-methylphenyl)-3-[(E)-2-(4-chlorophenyl)ethenyl]urea has a molecular weight of 321.21 g/mol, XLogP of 5.09, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-3-[(E)-2-(4-chlorophenyl)ethenyl]urea is sourced from PubChem (CID 108908299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).