3-(3,4-dichlorophenyl)-1-(4-ethylphenyl)-1-[(E)-3-phenylprop-2-enyl]urea

C24H22Cl2N2O — CID 42697821

IUPAC3-(3,4-dichlorophenyl)-1-(4-ethylphenyl)-1-[(E)-3-phenylprop-2-enyl]urea
SMILESCCc1ccc(N(C/C=C/c2ccccc2)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C24H22Cl2N2O/c1-2-18-10-13-21(14-11-18)28(16-6-9-19-7-4-3-5-8-19)24(29)27-20-12-15-22(25)23(26)17-20/h3-15,17H,2,16H2,1H3,(H,27,29)/b9-6+
InChIKeyABXMOYIEVZXLPM-RMKNXTFCSA-N
MW425.36 g/mol
LogP7.31
Rot. Bonds6

About 3-(3,4-dichlorophenyl)-1-(4-ethylphenyl)-1-[(E)-3-phenylprop-2-enyl]urea

3-(3,4-dichlorophenyl)-1-(4-ethylphenyl)-1-[(E)-3-phenylprop-2-enyl]urea (PubChem CID 42697821) has the molecular formula C24H22Cl2N2O and a molecular weight of 425.36 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-1-(4-ethylphenyl)-1-[(E)-3-phenylprop-2-enyl]urea.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-1-(4-ethylphenyl)-1-[(E)-3-phenylprop-2-enyl]urea
PubChem CID42697821
Molecular FormulaC24H22Cl2N2O
Molecular Weight425.36 g/mol
Exact Mass424.11
IUPAC Name3-(3,4-dichlorophenyl)-1-(4-ethylphenyl)-1-[(E)-3-phenylprop-2-enyl]urea
SMILESCCc1ccc(N(C/C=C/c2ccccc2)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C24H22Cl2N2O/c1-2-18-10-13-21(14-11-18)28(16-6-9-19-7-4-3-5-8-19)24(29)27-20-12-15-22(25)23(26)17-20/h3-15,17H,2,16H2,1H3,(H,27,29)/b9-6+
InChIKeyABXMOYIEVZXLPM-RMKNXTFCSA-N
XLogP7.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.36
LogP ≤ 57.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-ethylphenyl)-3-(3-fluorophenyl)-1-[(E)-3-phenylprop-2-enyl]urea
CID 42697826
3-(3,4-dichlorophenyl)-1-phenyl-1-prop-2-enylurea
CID 20787917
3-(4-bromophenyl)-1-(4-methylphenyl)-1-(3-phenylprop-2-enyl)urea
CID 4022936
N-(4-ethylphenyl)-2-phenyl-N-[(E)-3-phenylprop-2-enyl]butanamide
CID 42697813
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
1-(4-ethoxyphenyl)-3-(2-methoxyphenyl)-1-[(E)-3-phenylprop-2-enyl]urea
CID 42696281
3-(1-methylbenzotriazol-5-yl)-1-phenyl-1-prop-2-enylurea
CID 894456
3-(3,4-dichlorophenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]-1-propan-2-ylurea
CID 42702397
N-(3,4-dichlorophenyl)-2-(N-ethylanilino)acetamide
CID 54808800
3-(4-ethylphenyl)-1-methyl-1-phenylurea
CID 108991136

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-1-(4-ethylphenyl)-1-[(E)-3-phenylprop-2-enyl]urea?
The IUPAC name of 3-(3,4-dichlorophenyl)-1-(4-ethylphenyl)-1-[(E)-3-phenylprop-2-enyl]urea (CID 42697821) is 3-(3,4-dichlorophenyl)-1-(4-ethylphenyl)-1-[(E)-3-phenylprop-2-enyl]urea.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-1-(4-ethylphenyl)-1-[(E)-3-phenylprop-2-enyl]urea?
The canonical SMILES for 3-(3,4-dichlorophenyl)-1-(4-ethylphenyl)-1-[(E)-3-phenylprop-2-enyl]urea is CCc1ccc(N(C/C=C/c2ccccc2)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-1-(4-ethylphenyl)-1-[(E)-3-phenylprop-2-enyl]urea?
The InChIKey is ABXMOYIEVZXLPM-RMKNXTFCSA-N. The full InChI is InChI=1S/C24H22Cl2N2O/c1-2-18-10-13-21(14-11-18)28(16-6-9-19-7-4-3-5-8-19)24(29)27-20-12-15-22(25)23(26)17-20/h3-15,17H,2,16H2,1H3,(H,27,29)/b9-6+.
What are the key properties of 3-(3,4-dichlorophenyl)-1-(4-ethylphenyl)-1-[(E)-3-phenylprop-2-enyl]urea?
3-(3,4-dichlorophenyl)-1-(4-ethylphenyl)-1-[(E)-3-phenylprop-2-enyl]urea has a molecular weight of 425.36 g/mol, XLogP of 7.31, 6 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-(4-ethylphenyl)-1-[(E)-3-phenylprop-2-enyl]urea is sourced from PubChem (CID 42697821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).