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

C21H19BrN2O2 — CID 108900492

IUPAC1-[2-(2-bromophenyl)ethyl]-3-(4-phenoxyphenyl)urea
SMILESO=C(NCCc1ccccc1Br)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H19BrN2O2/c22-20-9-5-4-6-16(20)14-15-23-21(25)24-17-10-12-19(13-11-17)26-18-7-2-1-3-8-18/h1-13H,14-15H2,(H2,23,24,25)
InChIKeyQLNFAIQNVNEUSP-UHFFFAOYSA-N
MW411.30 g/mol
LogP5.61
Rot. Bonds6

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

1-[2-(2-bromophenyl)ethyl]-3-(4-phenoxyphenyl)urea (PubChem CID 108900492) has the molecular formula C21H19BrN2O2 and a molecular weight of 411.30 g/mol. Its IUPAC name is 1-[2-(2-bromophenyl)ethyl]-3-(4-phenoxyphenyl)urea.

Molecular Properties

Compound Name1-[2-(2-bromophenyl)ethyl]-3-(4-phenoxyphenyl)urea
PubChem CID108900492
Molecular FormulaC21H19BrN2O2
Molecular Weight411.30 g/mol
Exact Mass410.06
IUPAC Name1-[2-(2-bromophenyl)ethyl]-3-(4-phenoxyphenyl)urea
SMILESO=C(NCCc1ccccc1Br)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H19BrN2O2/c22-20-9-5-4-6-16(20)14-15-23-21(25)24-17-10-12-19(13-11-17)26-18-7-2-1-3-8-18/h1-13H,14-15H2,(H2,23,24,25)
InChIKeyQLNFAIQNVNEUSP-UHFFFAOYSA-N
XLogP5.61
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.30
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-methylphenyl)ethyl]-3-(4-phenoxyphenyl)urea
CID 108899665
1-[2-(2-bromophenyl)ethyl]-3-(4-iodophenyl)urea
CID 108900609
1-[2-(2-bromophenyl)ethyl]-3-(4-chlorophenyl)urea
CID 108868699
1-[2-(2-bromophenyl)ethyl]-3-[4-(diethylamino)phenyl]urea
CID 108900589
1-[2-(2-bromophenyl)ethyl]-3-(3,4-dimethoxyphenyl)urea
CID 49110917
1-[2-(2-bromophenyl)ethyl]-3-(3-methylphenyl)urea
CID 108888015
1-[2-(2-bromophenyl)ethyl]-3-(3-chloro-4-methylphenyl)urea
CID 108900450
1-[2-(2-bromophenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 49110521
1-[3,5-bis(trifluoromethyl)phenyl]-3-[2-(2-bromophenyl)ethyl]urea
CID 108900585
2-[(4-phenoxyphenyl)carbamoylamino]acetamide
CID 54573281
1-[(2-bromophenyl)methyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 3559637
1-[2-(2-bromophenyl)ethyl]-3-[2-(2-methylphenyl)ethyl]urea
CID 52797116

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bromophenyl)ethyl]-3-(4-phenoxyphenyl)urea?
The IUPAC name of 1-[2-(2-bromophenyl)ethyl]-3-(4-phenoxyphenyl)urea (CID 108900492) is 1-[2-(2-bromophenyl)ethyl]-3-(4-phenoxyphenyl)urea.
What is the SMILES notation for 1-[2-(2-bromophenyl)ethyl]-3-(4-phenoxyphenyl)urea?
The canonical SMILES for 1-[2-(2-bromophenyl)ethyl]-3-(4-phenoxyphenyl)urea is O=C(NCCc1ccccc1Br)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 1-[2-(2-bromophenyl)ethyl]-3-(4-phenoxyphenyl)urea?
The InChIKey is QLNFAIQNVNEUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrN2O2/c22-20-9-5-4-6-16(20)14-15-23-21(25)24-17-10-12-19(13-11-17)26-18-7-2-1-3-8-18/h1-13H,14-15H2,(H2,23,24,25).
What are the key properties of 1-[2-(2-bromophenyl)ethyl]-3-(4-phenoxyphenyl)urea?
1-[2-(2-bromophenyl)ethyl]-3-(4-phenoxyphenyl)urea has a molecular weight of 411.30 g/mol, XLogP of 5.61, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bromophenyl)ethyl]-3-(4-phenoxyphenyl)urea is sourced from PubChem (CID 108900492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).