1-[2-(3-bromophenyl)ethyl]-3-(oxan-4-ylidenemethyl)urea

C15H19BrN2O2 — CID 108913399

IUPAC1-[2-(3-bromophenyl)ethyl]-3-(oxan-4-ylidenemethyl)urea
SMILESO=C(NC=C1CCOCC1)NCCc1cccc(Br)c1
InChIInChI=1S/C15H19BrN2O2/c16-14-3-1-2-12(10-14)4-7-17-15(19)18-11-13-5-8-20-9-6-13/h1-3,10-11H,4-9H2,(H2,17,18,19)
InChIKeyWJRJDJWIWSTPLP-UHFFFAOYSA-N
MW339.23 g/mol
LogP2.99
Rot. Bonds4

About 1-[2-(3-bromophenyl)ethyl]-3-(oxan-4-ylidenemethyl)urea

1-[2-(3-bromophenyl)ethyl]-3-(oxan-4-ylidenemethyl)urea (PubChem CID 108913399) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is 1-[2-(3-bromophenyl)ethyl]-3-(oxan-4-ylidenemethyl)urea.

Molecular Properties

Compound Name1-[2-(3-bromophenyl)ethyl]-3-(oxan-4-ylidenemethyl)urea
PubChem CID108913399
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC Name1-[2-(3-bromophenyl)ethyl]-3-(oxan-4-ylidenemethyl)urea
SMILESO=C(NC=C1CCOCC1)NCCc1cccc(Br)c1
InChIInChI=1S/C15H19BrN2O2/c16-14-3-1-2-12(10-14)4-7-17-15(19)18-11-13-5-8-20-9-6-13/h1-3,10-11H,4-9H2,(H2,17,18,19)
InChIKeyWJRJDJWIWSTPLP-UHFFFAOYSA-N
XLogP2.99
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3-bromophenyl)ethyl]-3-[(E)-3,3-dimethylbut-1-enyl]urea
CID 108911589
1-benzyl-3-[2-(3-bromophenyl)ethyl]urea
CID 108871346
1-[2-(4-bromophenyl)ethyl]-3-(cyclohexylidenemethyl)urea
CID 108912711
1-[(3-bromophenyl)methyl]-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]urea
CID 86952368
1-[(3-bromophenyl)methyl]-3-(2-phenylethyl)urea
CID 60601402
1-[2-(3-bromophenyl)ethyl]-3-pyrimidin-2-ylurea
CID 108901668
1-[2-(3-bromophenyl)ethyl]-3-pentan-3-ylurea
CID 108888425
1-[3-(3-bromophenyl)propyl]-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 86902149
1-(4-aminophenyl)-3-[2-(3-bromophenyl)ethyl]urea
CID 108897082
1-[2-(3-bromophenyl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108901593
1-[2-(3-bromophenyl)ethyl]-3-(pyridin-4-ylmethyl)urea
CID 108901652
3-amino-N-[2-(3-bromophenyl)ethyl]propanamide
CID 94697083

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromophenyl)ethyl]-3-(oxan-4-ylidenemethyl)urea?
The IUPAC name of 1-[2-(3-bromophenyl)ethyl]-3-(oxan-4-ylidenemethyl)urea (CID 108913399) is 1-[2-(3-bromophenyl)ethyl]-3-(oxan-4-ylidenemethyl)urea.
What is the SMILES notation for 1-[2-(3-bromophenyl)ethyl]-3-(oxan-4-ylidenemethyl)urea?
The canonical SMILES for 1-[2-(3-bromophenyl)ethyl]-3-(oxan-4-ylidenemethyl)urea is O=C(NC=C1CCOCC1)NCCc1cccc(Br)c1.
What is the InChIKey of 1-[2-(3-bromophenyl)ethyl]-3-(oxan-4-ylidenemethyl)urea?
The InChIKey is WJRJDJWIWSTPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2/c16-14-3-1-2-12(10-14)4-7-17-15(19)18-11-13-5-8-20-9-6-13/h1-3,10-11H,4-9H2,(H2,17,18,19).
What are the key properties of 1-[2-(3-bromophenyl)ethyl]-3-(oxan-4-ylidenemethyl)urea?
1-[2-(3-bromophenyl)ethyl]-3-(oxan-4-ylidenemethyl)urea has a molecular weight of 339.23 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-bromophenyl)ethyl]-3-(oxan-4-ylidenemethyl)urea is sourced from PubChem (CID 108913399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).