1-[(E)-2-(3-bromophenyl)ethenyl]-3-[(3-chlorophenyl)methyl]urea

C16H14BrClN2O — CID 108907128

IUPAC1-[(E)-2-(3-bromophenyl)ethenyl]-3-[(3-chlorophenyl)methyl]urea
SMILESO=C(N/C=C/c1cccc(Br)c1)NCc1cccc(Cl)c1
InChIInChI=1S/C16H14BrClN2O/c17-14-5-1-3-12(9-14)7-8-19-16(21)20-11-13-4-2-6-15(18)10-13/h1-10H,11H2,(H2,19,20,21)/b8-7+
InChIKeyLDWVCTLCICYVHD-BQYQJAHWSA-N
MW365.66 g/mol
LogP4.57
Rot. Bonds4

About 1-[(E)-2-(3-bromophenyl)ethenyl]-3-[(3-chlorophenyl)methyl]urea

1-[(E)-2-(3-bromophenyl)ethenyl]-3-[(3-chlorophenyl)methyl]urea (PubChem CID 108907128) has the molecular formula C16H14BrClN2O and a molecular weight of 365.66 g/mol. Its IUPAC name is 1-[(E)-2-(3-bromophenyl)ethenyl]-3-[(3-chlorophenyl)methyl]urea.

Molecular Properties

Compound Name1-[(E)-2-(3-bromophenyl)ethenyl]-3-[(3-chlorophenyl)methyl]urea
PubChem CID108907128
Molecular FormulaC16H14BrClN2O
Molecular Weight365.66 g/mol
Exact Mass364.00
IUPAC Name1-[(E)-2-(3-bromophenyl)ethenyl]-3-[(3-chlorophenyl)methyl]urea
SMILESO=C(N/C=C/c1cccc(Br)c1)NCc1cccc(Cl)c1
InChIInChI=1S/C16H14BrClN2O/c17-14-5-1-3-12(9-14)7-8-19-16(21)20-11-13-4-2-6-15(18)10-13/h1-10H,11H2,(H2,19,20,21)/b8-7+
InChIKeyLDWVCTLCICYVHD-BQYQJAHWSA-N
XLogP4.57
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.66
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(E)-2-(3-bromophenyl)ethenyl]-3-[(4-bromophenyl)methyl]urea
CID 108907130
1-[(3-bromophenyl)methyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]urea
CID 108908245
1-[(E)-2-(3-bromophenyl)ethenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 108906861
1-[(E)-2-(3-bromophenyl)ethenyl]-3-(4-phenylbutyl)urea
CID 108907152
1-[(2-bromophenyl)methyl]-3-[(E)-2-(3-chlorophenyl)ethenyl]urea
CID 108906751
1-[2-(4-bromophenyl)ethyl]-3-[(E)-2-(3-chlorophenyl)ethenyl]urea
CID 108906770
1-[(E)-2-(3-bromophenyl)ethenyl]-3-[(2-methylphenyl)methyl]urea
CID 108907123
1-[(3-chlorophenyl)methyl]-3-[(E)-3,3-dimethylbut-1-enyl]urea
CID 108911577
1-[(3-bromophenyl)methyl]-3-(3-chlorophenyl)urea
CID 60969136
1-[(4-bromophenyl)methyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea
CID 108905638
2-[[(E)-2-(3-chlorophenyl)ethenyl]carbamoylamino]acetic acid
CID 108906497
1-[(E)-2-(3-chlorophenyl)ethenyl]-3-pentylurea
CID 108906578

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(3-bromophenyl)ethenyl]-3-[(3-chlorophenyl)methyl]urea?
The IUPAC name of 1-[(E)-2-(3-bromophenyl)ethenyl]-3-[(3-chlorophenyl)methyl]urea (CID 108907128) is 1-[(E)-2-(3-bromophenyl)ethenyl]-3-[(3-chlorophenyl)methyl]urea.
What is the SMILES notation for 1-[(E)-2-(3-bromophenyl)ethenyl]-3-[(3-chlorophenyl)methyl]urea?
The canonical SMILES for 1-[(E)-2-(3-bromophenyl)ethenyl]-3-[(3-chlorophenyl)methyl]urea is O=C(N/C=C/c1cccc(Br)c1)NCc1cccc(Cl)c1.
What is the InChIKey of 1-[(E)-2-(3-bromophenyl)ethenyl]-3-[(3-chlorophenyl)methyl]urea?
The InChIKey is LDWVCTLCICYVHD-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H14BrClN2O/c17-14-5-1-3-12(9-14)7-8-19-16(21)20-11-13-4-2-6-15(18)10-13/h1-10H,11H2,(H2,19,20,21)/b8-7+.
What are the key properties of 1-[(E)-2-(3-bromophenyl)ethenyl]-3-[(3-chlorophenyl)methyl]urea?
1-[(E)-2-(3-bromophenyl)ethenyl]-3-[(3-chlorophenyl)methyl]urea has a molecular weight of 365.66 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(3-bromophenyl)ethenyl]-3-[(3-chlorophenyl)methyl]urea is sourced from PubChem (CID 108907128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).