3-(4-bromophenyl)-1-(4-methylphenyl)-1-(3-phenylprop-2-enyl)urea

C23H21BrN2O — CID 4022936

IUPAC3-(4-bromophenyl)-1-(4-methylphenyl)-1-(3-phenylprop-2-enyl)urea
SMILESCc1ccc(N(CC=Cc2ccccc2)C(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C23H21BrN2O/c1-18-9-15-22(16-10-18)26(17-5-8-19-6-3-2-4-7-19)23(27)25-21-13-11-20(24)12-14-21/h2-16H,17H2,1H3,(H,25,27)
InChIKeyCWAYWGBEEGBNTR-UHFFFAOYSA-N
MW421.34 g/mol
LogP6.51
Rot. Bonds5

About 3-(4-bromophenyl)-1-(4-methylphenyl)-1-(3-phenylprop-2-enyl)urea

3-(4-bromophenyl)-1-(4-methylphenyl)-1-(3-phenylprop-2-enyl)urea (PubChem CID 4022936) has the molecular formula C23H21BrN2O and a molecular weight of 421.34 g/mol. Its IUPAC name is 3-(4-bromophenyl)-1-(4-methylphenyl)-1-(3-phenylprop-2-enyl)urea.

Molecular Properties

Compound Name3-(4-bromophenyl)-1-(4-methylphenyl)-1-(3-phenylprop-2-enyl)urea
PubChem CID4022936
Molecular FormulaC23H21BrN2O
Molecular Weight421.34 g/mol
Exact Mass420.08
IUPAC Name3-(4-bromophenyl)-1-(4-methylphenyl)-1-(3-phenylprop-2-enyl)urea
SMILESCc1ccc(N(CC=Cc2ccccc2)C(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C23H21BrN2O/c1-18-9-15-22(16-10-18)26(17-5-8-19-6-3-2-4-7-19)23(27)25-21-13-11-20(24)12-14-21/h2-16H,17H2,1H3,(H,25,27)
InChIKeyCWAYWGBEEGBNTR-UHFFFAOYSA-N
XLogP6.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.34
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3,4-dichlorophenyl)-1-(4-ethylphenyl)-1-[(E)-3-phenylprop-2-enyl]urea
CID 42697821
1-(4-ethylphenyl)-3-(3-fluorophenyl)-1-[(E)-3-phenylprop-2-enyl]urea
CID 42697826
4-methyl-N,N-bis[(E)-3-phenylprop-2-enyl]aniline
CID 10617075
1-(4-ethoxyphenyl)-3-(2-fluorophenyl)-1-[(E)-3-phenylprop-2-enyl]urea
CID 42696272
1-(4-ethoxyphenyl)-3-(2-methoxyphenyl)-1-[(E)-3-phenylprop-2-enyl]urea
CID 42696281
N-(4-methylphenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanylacetamide
CID 2118628
1-[(E)-2-(4-bromophenyl)ethenyl]-3-(4-methylphenyl)urea
CID 108908655
3-(4-methylphenyl)-1-[2-[(4-methylphenyl)carbamoylamino]ethyl]-1-(4-phenoxyphenyl)urea
CID 4210938
3-(4-chlorophenyl)-1-(cyanomethyl)-1-(4-methylphenyl)urea
CID 2386070
(E,2R)-2-(4-methylanilino)-1,5-diphenylpent-4-en-1-one
CID 138981125
1-(anthracen-9-ylmethyl)-1-(4-methylphenyl)-3-phenylurea
CID 42657103
N-[2-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]ethyl]benzamide
CID 42705527

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-1-(4-methylphenyl)-1-(3-phenylprop-2-enyl)urea?
The IUPAC name of 3-(4-bromophenyl)-1-(4-methylphenyl)-1-(3-phenylprop-2-enyl)urea (CID 4022936) is 3-(4-bromophenyl)-1-(4-methylphenyl)-1-(3-phenylprop-2-enyl)urea.
What is the SMILES notation for 3-(4-bromophenyl)-1-(4-methylphenyl)-1-(3-phenylprop-2-enyl)urea?
The canonical SMILES for 3-(4-bromophenyl)-1-(4-methylphenyl)-1-(3-phenylprop-2-enyl)urea is Cc1ccc(N(CC=Cc2ccccc2)C(=O)Nc2ccc(Br)cc2)cc1.
What is the InChIKey of 3-(4-bromophenyl)-1-(4-methylphenyl)-1-(3-phenylprop-2-enyl)urea?
The InChIKey is CWAYWGBEEGBNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrN2O/c1-18-9-15-22(16-10-18)26(17-5-8-19-6-3-2-4-7-19)23(27)25-21-13-11-20(24)12-14-21/h2-16H,17H2,1H3,(H,25,27).
What are the key properties of 3-(4-bromophenyl)-1-(4-methylphenyl)-1-(3-phenylprop-2-enyl)urea?
3-(4-bromophenyl)-1-(4-methylphenyl)-1-(3-phenylprop-2-enyl)urea has a molecular weight of 421.34 g/mol, XLogP of 6.51, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-1-(4-methylphenyl)-1-(3-phenylprop-2-enyl)urea is sourced from PubChem (CID 4022936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).