1-(2,5-dibromophenyl)-3-[(2-methoxy-3-pyridinyl)methyl]urea

C14H13Br2N3O2 — CID 55698371

IUPAC1-(2,5-dibromophenyl)-3-[(2-methoxy-3-pyridinyl)methyl]urea
SMILESCOc1ncccc1CNC(=O)Nc1cc(Br)ccc1Br
InChIInChI=1S/C14H13Br2N3O2/c1-21-13-9(3-2-6-17-13)8-18-14(20)19-12-7-10(15)4-5-11(12)16/h2-7H,8H2,1H3,(H2,18,19,20)
InChIKeyXVEFFVNGRZYXEB-UHFFFAOYSA-N
MW415.09 g/mol
LogP3.94
Rot. Bonds4

About 1-(2,5-dibromophenyl)-3-[(2-methoxy-3-pyridinyl)methyl]urea

1-(2,5-dibromophenyl)-3-[(2-methoxy-3-pyridinyl)methyl]urea (PubChem CID 55698371) has the molecular formula C14H13Br2N3O2 and a molecular weight of 415.09 g/mol. Its IUPAC name is 1-(2,5-dibromophenyl)-3-[(2-methoxy-3-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-(2,5-dibromophenyl)-3-[(2-methoxy-3-pyridinyl)methyl]urea
PubChem CID55698371
Molecular FormulaC14H13Br2N3O2
Molecular Weight415.09 g/mol
Exact Mass412.94
IUPAC Name1-(2,5-dibromophenyl)-3-[(2-methoxy-3-pyridinyl)methyl]urea
SMILESCOc1ncccc1CNC(=O)Nc1cc(Br)ccc1Br
InChIInChI=1S/C14H13Br2N3O2/c1-21-13-9(3-2-6-17-13)8-18-14(20)19-12-7-10(15)4-5-11(12)16/h2-7H,8H2,1H3,(H2,18,19,20)
InChIKeyXVEFFVNGRZYXEB-UHFFFAOYSA-N
XLogP3.94
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.09
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dibromo-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 103907640
1-[(4-methoxyphenyl)methyl]-3-[(2-methoxy-3-pyridinyl)methyl]urea
CID 53184866
1-(5-bromo-2-methoxyphenyl)-3-(pyridin-3-ylmethyl)urea
CID 47326377
1-[(2-methoxy-3-pyridinyl)methyl]-3-(3-methylbutyl)urea
CID 47164188
4-bromo-2-[(2-methoxy-3-pyridinyl)methylamino]benzonitrile
CID 114905243
1-(2-methoxy-3-pyridinyl)-3-[(3-methyl-4-pyridinyl)methyl]urea
CID 126792773
1-(2-chloro-4-methoxyphenyl)-3-[(2-ethoxy-3-pyridinyl)methyl]urea
CID 86862849
1-(2-methoxyethyl)-3-(2-methoxy-3-pyridinyl)urea
CID 47223034
5-bromo-N-[(2-methoxy-3-pyridinyl)methyl]pyridin-2-amine
CID 58259421
3-[(2-methoxy-3-pyridinyl)methylamino]-2-methyl-3-oxopropanoic acid
CID 114898125
2-amino-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 61213958
3-[(4-methoxyphenyl)carbamoylamino]-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
CID 46598865

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromophenyl)-3-[(2-methoxy-3-pyridinyl)methyl]urea?
The IUPAC name of 1-(2,5-dibromophenyl)-3-[(2-methoxy-3-pyridinyl)methyl]urea (CID 55698371) is 1-(2,5-dibromophenyl)-3-[(2-methoxy-3-pyridinyl)methyl]urea.
What is the SMILES notation for 1-(2,5-dibromophenyl)-3-[(2-methoxy-3-pyridinyl)methyl]urea?
The canonical SMILES for 1-(2,5-dibromophenyl)-3-[(2-methoxy-3-pyridinyl)methyl]urea is COc1ncccc1CNC(=O)Nc1cc(Br)ccc1Br.
What is the InChIKey of 1-(2,5-dibromophenyl)-3-[(2-methoxy-3-pyridinyl)methyl]urea?
The InChIKey is XVEFFVNGRZYXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2N3O2/c1-21-13-9(3-2-6-17-13)8-18-14(20)19-12-7-10(15)4-5-11(12)16/h2-7H,8H2,1H3,(H2,18,19,20).
What are the key properties of 1-(2,5-dibromophenyl)-3-[(2-methoxy-3-pyridinyl)methyl]urea?
1-(2,5-dibromophenyl)-3-[(2-methoxy-3-pyridinyl)methyl]urea has a molecular weight of 415.09 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromophenyl)-3-[(2-methoxy-3-pyridinyl)methyl]urea is sourced from PubChem (CID 55698371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).