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

C15H16BrN3O — CID 108902321

IUPAC1-[2-(4-bromophenyl)ethyl]-3-(pyridin-2-ylmethyl)urea
SMILESO=C(NCCc1ccc(Br)cc1)NCc1ccccn1
InChIInChI=1S/C15H16BrN3O/c16-13-6-4-12(5-7-13)8-10-18-15(20)19-11-14-3-1-2-9-17-14/h1-7,9H,8,10-11H2,(H2,18,19,20)
InChIKeyYUPWYWFNFBABCJ-UHFFFAOYSA-N
MW334.22 g/mol
LogP2.89
Rot. Bonds5

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

1-[2-(4-bromophenyl)ethyl]-3-(pyridin-2-ylmethyl)urea (PubChem CID 108902321) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is 1-[2-(4-bromophenyl)ethyl]-3-(pyridin-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[2-(4-bromophenyl)ethyl]-3-(pyridin-2-ylmethyl)urea
PubChem CID108902321
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC Name1-[2-(4-bromophenyl)ethyl]-3-(pyridin-2-ylmethyl)urea
SMILESO=C(NCCc1ccc(Br)cc1)NCc1ccccn1
InChIInChI=1S/C15H16BrN3O/c16-13-6-4-12(5-7-13)8-10-18-15(20)19-11-14-3-1-2-9-17-14/h1-7,9H,8,10-11H2,(H2,18,19,20)
InChIKeyYUPWYWFNFBABCJ-UHFFFAOYSA-N
XLogP2.89
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-bromophenyl)methyl]-3-(pyridin-2-ylmethyl)urea
CID 108899435
1-[2-(5-bromo-2-fluorophenyl)ethyl]-3-(pyridin-2-ylmethyl)urea
CID 48629926
2-(4-bromophenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 842504
1-[2-(4-bromophenyl)ethyl]-3-(pyridin-4-ylmethyl)urea
CID 108902320
2-methyl-N-[2-(pyridin-2-ylmethylcarbamoylamino)ethyl]propanamide
CID 47126081
7-(pyridin-2-ylmethylcarbamoylamino)heptanoic acid
CID 61190060
N-(2-phenylethyl)-2-(pyridin-2-ylmethylamino)acetamide
CID 108999079
1-[(4-bromophenyl)methyl]-3-pyridin-2-ylurea
CID 108894670
1-(3-hydroxy-3-phenylpropyl)-3-(pyridin-2-ylmethyl)urea
CID 111470925
1-[2-(4-bromophenyl)ethyl]-3-[(4-ethoxyphenyl)methyl]urea
CID 108884614
1-(pyridin-2-ylmethyl)-3-(2,2,2-trifluoroethyl)urea
CID 47134204
1-(3-hydroxypropyl)-3-(2-pyridin-2-ylethyl)urea
CID 110892181

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromophenyl)ethyl]-3-(pyridin-2-ylmethyl)urea?
The IUPAC name of 1-[2-(4-bromophenyl)ethyl]-3-(pyridin-2-ylmethyl)urea (CID 108902321) is 1-[2-(4-bromophenyl)ethyl]-3-(pyridin-2-ylmethyl)urea.
What is the SMILES notation for 1-[2-(4-bromophenyl)ethyl]-3-(pyridin-2-ylmethyl)urea?
The canonical SMILES for 1-[2-(4-bromophenyl)ethyl]-3-(pyridin-2-ylmethyl)urea is O=C(NCCc1ccc(Br)cc1)NCc1ccccn1.
What is the InChIKey of 1-[2-(4-bromophenyl)ethyl]-3-(pyridin-2-ylmethyl)urea?
The InChIKey is YUPWYWFNFBABCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c16-13-6-4-12(5-7-13)8-10-18-15(20)19-11-14-3-1-2-9-17-14/h1-7,9H,8,10-11H2,(H2,18,19,20).
What are the key properties of 1-[2-(4-bromophenyl)ethyl]-3-(pyridin-2-ylmethyl)urea?
1-[2-(4-bromophenyl)ethyl]-3-(pyridin-2-ylmethyl)urea has a molecular weight of 334.22 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromophenyl)ethyl]-3-(pyridin-2-ylmethyl)urea is sourced from PubChem (CID 108902321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).