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

C24H23FN2O — CID 42697826

IUPAC1-(4-ethylphenyl)-3-(3-fluorophenyl)-1-[(E)-3-phenylprop-2-enyl]urea
SMILESCCc1ccc(N(C/C=C/c2ccccc2)C(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C24H23FN2O/c1-2-19-13-15-23(16-14-19)27(17-7-10-20-8-4-3-5-9-20)24(28)26-22-12-6-11-21(25)18-22/h3-16,18H,2,17H2,1H3,(H,26,28)/b10-7+
InChIKeyVKRQBBFWSLRRBP-JXMROGBWSA-N
MW374.46 g/mol
LogP6.14
Rot. Bonds6

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

1-(4-ethylphenyl)-3-(3-fluorophenyl)-1-[(E)-3-phenylprop-2-enyl]urea (PubChem CID 42697826) has the molecular formula C24H23FN2O and a molecular weight of 374.46 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-3-(3-fluorophenyl)-1-[(E)-3-phenylprop-2-enyl]urea.

Molecular Properties

Compound Name1-(4-ethylphenyl)-3-(3-fluorophenyl)-1-[(E)-3-phenylprop-2-enyl]urea
PubChem CID42697826
Molecular FormulaC24H23FN2O
Molecular Weight374.46 g/mol
Exact Mass374.18
IUPAC Name1-(4-ethylphenyl)-3-(3-fluorophenyl)-1-[(E)-3-phenylprop-2-enyl]urea
SMILESCCc1ccc(N(C/C=C/c2ccccc2)C(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C24H23FN2O/c1-2-19-13-15-23(16-14-19)27(17-7-10-20-8-4-3-5-9-20)24(28)26-22-12-6-11-21(25)18-22/h3-16,18H,2,17H2,1H3,(H,26,28)/b10-7+
InChIKeyVKRQBBFWSLRRBP-JXMROGBWSA-N
XLogP6.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.46
LogP ≤ 56.14
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
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
N-(4-ethylphenyl)-N'-(3-fluorophenyl)propanediamide
CID 108954059
1-(4-ethoxyphenyl)-3-(2-fluorophenyl)-1-[(E)-3-phenylprop-2-enyl]urea
CID 42696272
1-(4-aminophenyl)-3-(3-fluorophenyl)-1-propylurea
CID 63233553
1-ethyl-3-(3-fluorophenyl)-1-methylurea
CID 115603508
4-ethyl-N-[3-[4-fluoro-N-(phenylcarbamoyl)anilino]propyl]benzamide
CID 42704534
1-(3-fluorophenyl)-3-[(E)-2-phenylethenyl]urea
CID 108903344
1-ethyl-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-phenylurea
CID 108906183
1-(4-ethoxyphenyl)-3-(2-methoxyphenyl)-1-[(E)-3-phenylprop-2-enyl]urea
CID 42696281
(E)-N-[(3-fluorophenyl)carbamothioyl]-3-phenylprop-2-enamide
CID 54788707

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-3-(3-fluorophenyl)-1-[(E)-3-phenylprop-2-enyl]urea?
The IUPAC name of 1-(4-ethylphenyl)-3-(3-fluorophenyl)-1-[(E)-3-phenylprop-2-enyl]urea (CID 42697826) is 1-(4-ethylphenyl)-3-(3-fluorophenyl)-1-[(E)-3-phenylprop-2-enyl]urea.
What is the SMILES notation for 1-(4-ethylphenyl)-3-(3-fluorophenyl)-1-[(E)-3-phenylprop-2-enyl]urea?
The canonical SMILES for 1-(4-ethylphenyl)-3-(3-fluorophenyl)-1-[(E)-3-phenylprop-2-enyl]urea is CCc1ccc(N(C/C=C/c2ccccc2)C(=O)Nc2cccc(F)c2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-3-(3-fluorophenyl)-1-[(E)-3-phenylprop-2-enyl]urea?
The InChIKey is VKRQBBFWSLRRBP-JXMROGBWSA-N. The full InChI is InChI=1S/C24H23FN2O/c1-2-19-13-15-23(16-14-19)27(17-7-10-20-8-4-3-5-9-20)24(28)26-22-12-6-11-21(25)18-22/h3-16,18H,2,17H2,1H3,(H,26,28)/b10-7+.
What are the key properties of 1-(4-ethylphenyl)-3-(3-fluorophenyl)-1-[(E)-3-phenylprop-2-enyl]urea?
1-(4-ethylphenyl)-3-(3-fluorophenyl)-1-[(E)-3-phenylprop-2-enyl]urea has a molecular weight of 374.46 g/mol, XLogP of 6.14, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-3-(3-fluorophenyl)-1-[(E)-3-phenylprop-2-enyl]urea is sourced from PubChem (CID 42697826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).