3-(3,4-dichlorophenyl)-1-phenyl-1-prop-2-enylurea

C16H14Cl2N2O — CID 20787917

IUPAC3-(3,4-dichlorophenyl)-1-phenyl-1-prop-2-enylurea
SMILESC=CCN(C(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1
InChIInChI=1S/C16H14Cl2N2O/c1-2-10-20(13-6-4-3-5-7-13)16(21)19-12-8-9-14(17)15(18)11-12/h2-9,11H,1,10H2,(H,19,21)
InChIKeyRXZXZVTULCNEFL-UHFFFAOYSA-N
MW321.21 g/mol
LogP5.22
Rot. Bonds4

About 3-(3,4-dichlorophenyl)-1-phenyl-1-prop-2-enylurea

3-(3,4-dichlorophenyl)-1-phenyl-1-prop-2-enylurea (PubChem CID 20787917) has the molecular formula C16H14Cl2N2O and a molecular weight of 321.21 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-1-phenyl-1-prop-2-enylurea.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-1-phenyl-1-prop-2-enylurea
PubChem CID20787917
Molecular FormulaC16H14Cl2N2O
Molecular Weight321.21 g/mol
Exact Mass320.05
IUPAC Name3-(3,4-dichlorophenyl)-1-phenyl-1-prop-2-enylurea
SMILESC=CCN(C(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1
InChIInChI=1S/C16H14Cl2N2O/c1-2-10-20(13-6-4-3-5-7-13)16(21)19-12-8-9-14(17)15(18)11-12/h2-9,11H,1,10H2,(H,19,21)
InChIKeyRXZXZVTULCNEFL-UHFFFAOYSA-N
XLogP5.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.21
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(3,4-dichlorophenyl)-1-(4-ethylphenyl)-1-[(E)-3-phenylprop-2-enyl]urea
CID 42697821
3-(1-methylbenzotriazol-5-yl)-1-phenyl-1-prop-2-enylurea
CID 894456
3-(4-nitrophenyl)-1-phenyl-1-prop-2-enylurea
CID 177420142
3-[2-(2,5-dioxopyrrolidin-1-yl)-1,3-benzothiazol-6-yl]-1-phenyl-1-prop-2-enylurea
CID 126154439
3-(3,4-dichlorophenyl)-1-phenyl-1-phenylmethoxyurea
CID 12589377
1-(3-aminophenyl)-3-(3,4-dichlorophenyl)-1-ethylurea
CID 63229714
3-(3-chloro-4-methoxyphenyl)-1-ethyl-1-phenylurea
CID 108991522
2-[(4-bromo-3-chlorophenyl)carbamoyl-prop-2-enylamino]acetic acid
CID 107614616
3-(3,4-dichlorophenyl)-1-[3-[(3-fluorophenyl)carbamoylamino]propyl]-1-phenylurea
CID 42705924
3-(3,4-dichlorophenyl)-1-[3-[(4-fluorophenyl)sulfonylamino]propyl]-1-phenylurea
CID 42705928
N-(3,4-dichlorophenyl)-2-(N-ethylanilino)acetamide
CID 54808800
3-(3,4-dichlorophenyl)-1-methyl-1-(methylamino)urea
CID 12537925

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-1-phenyl-1-prop-2-enylurea?
The IUPAC name of 3-(3,4-dichlorophenyl)-1-phenyl-1-prop-2-enylurea (CID 20787917) is 3-(3,4-dichlorophenyl)-1-phenyl-1-prop-2-enylurea.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-1-phenyl-1-prop-2-enylurea?
The canonical SMILES for 3-(3,4-dichlorophenyl)-1-phenyl-1-prop-2-enylurea is C=CCN(C(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-1-phenyl-1-prop-2-enylurea?
The InChIKey is RXZXZVTULCNEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O/c1-2-10-20(13-6-4-3-5-7-13)16(21)19-12-8-9-14(17)15(18)11-12/h2-9,11H,1,10H2,(H,19,21).
What are the key properties of 3-(3,4-dichlorophenyl)-1-phenyl-1-prop-2-enylurea?
3-(3,4-dichlorophenyl)-1-phenyl-1-prop-2-enylurea has a molecular weight of 321.21 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-1-phenyl-1-prop-2-enylurea is sourced from PubChem (CID 20787917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).