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

C16H14BrClN2O — CID 108906751

IUPAC1-[(2-bromophenyl)methyl]-3-[(E)-2-(3-chlorophenyl)ethenyl]urea
SMILESO=C(N/C=C/c1cccc(Cl)c1)NCc1ccccc1Br
InChIInChI=1S/C16H14BrClN2O/c17-15-7-2-1-5-13(15)11-20-16(21)19-9-8-12-4-3-6-14(18)10-12/h1-10H,11H2,(H2,19,20,21)/b9-8+
InChIKeyBVRSLVAIZOGAAB-CMDGGOBGSA-N
MW365.66 g/mol
LogP4.57
Rot. Bonds4

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

1-[(2-bromophenyl)methyl]-3-[(E)-2-(3-chlorophenyl)ethenyl]urea (PubChem CID 108906751) has the molecular formula C16H14BrClN2O and a molecular weight of 365.66 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methyl]-3-[(E)-2-(3-chlorophenyl)ethenyl]urea.

Molecular Properties

Compound Name1-[(2-bromophenyl)methyl]-3-[(E)-2-(3-chlorophenyl)ethenyl]urea
PubChem CID108906751
Molecular FormulaC16H14BrClN2O
Molecular Weight365.66 g/mol
Exact Mass364.00
IUPAC Name1-[(2-bromophenyl)methyl]-3-[(E)-2-(3-chlorophenyl)ethenyl]urea
SMILESO=C(N/C=C/c1cccc(Cl)c1)NCc1ccccc1Br
InChIInChI=1S/C16H14BrClN2O/c17-15-7-2-1-5-13(15)11-20-16(21)19-9-8-12-4-3-6-14(18)10-12/h1-10H,11H2,(H2,19,20,21)/b9-8+
InChIKeyBVRSLVAIZOGAAB-CMDGGOBGSA-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-[(3-chlorophenyl)methyl]urea
CID 108907128
2-[[(E)-2-(3-chlorophenyl)ethenyl]carbamoylamino]acetic acid
CID 108906497
1-[(E)-2-(3-bromophenyl)ethenyl]-3-[(2-methylphenyl)methyl]urea
CID 108907123
1-[2-(4-bromophenyl)ethyl]-3-[(E)-2-(3-chlorophenyl)ethenyl]urea
CID 108906770
1-[(E)-2-(3-chlorophenyl)ethenyl]-3-pentylurea
CID 108906578
1-[(E)-2-(3-chlorophenyl)ethenyl]-3-(3-methoxypropyl)urea
CID 108906477
1-[(E)-2-(3-chlorophenyl)ethenyl]-3-[3-(dimethylamino)propyl]urea
CID 108906605
1-[(E)-2-(3-bromophenyl)ethenyl]-3-[(4-bromophenyl)methyl]urea
CID 108907130
1-[(E)-2-(3-chlorophenyl)ethenyl]-3-(2-nitrophenyl)urea
CID 108906423
1-[(2-chlorophenyl)methyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]urea
CID 108907964
1-[2-(4-chlorophenyl)ethenyl]-3-[(2-methoxyphenyl)methyl]urea
CID 3748194
N-[(2-bromophenyl)methyl]acetamide
CID 2824953

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromophenyl)methyl]-3-[(E)-2-(3-chlorophenyl)ethenyl]urea?
The IUPAC name of 1-[(2-bromophenyl)methyl]-3-[(E)-2-(3-chlorophenyl)ethenyl]urea (CID 108906751) is 1-[(2-bromophenyl)methyl]-3-[(E)-2-(3-chlorophenyl)ethenyl]urea.
What is the SMILES notation for 1-[(2-bromophenyl)methyl]-3-[(E)-2-(3-chlorophenyl)ethenyl]urea?
The canonical SMILES for 1-[(2-bromophenyl)methyl]-3-[(E)-2-(3-chlorophenyl)ethenyl]urea is O=C(N/C=C/c1cccc(Cl)c1)NCc1ccccc1Br.
What is the InChIKey of 1-[(2-bromophenyl)methyl]-3-[(E)-2-(3-chlorophenyl)ethenyl]urea?
The InChIKey is BVRSLVAIZOGAAB-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H14BrClN2O/c17-15-7-2-1-5-13(15)11-20-16(21)19-9-8-12-4-3-6-14(18)10-12/h1-10H,11H2,(H2,19,20,21)/b9-8+.
What are the key properties of 1-[(2-bromophenyl)methyl]-3-[(E)-2-(3-chlorophenyl)ethenyl]urea?
1-[(2-bromophenyl)methyl]-3-[(E)-2-(3-chlorophenyl)ethenyl]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-[(2-bromophenyl)methyl]-3-[(E)-2-(3-chlorophenyl)ethenyl]urea is sourced from PubChem (CID 108906751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).