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

C14H14BrN3O — CID 108899435

IUPAC1-[(4-bromophenyl)methyl]-3-(pyridin-2-ylmethyl)urea
SMILESO=C(NCc1ccc(Br)cc1)NCc1ccccn1
InChIInChI=1S/C14H14BrN3O/c15-12-6-4-11(5-7-12)9-17-14(19)18-10-13-3-1-2-8-16-13/h1-8H,9-10H2,(H2,17,18,19)
InChIKeyZQEBVGPEYVSDQM-UHFFFAOYSA-N
MW320.19 g/mol
LogP2.84
Rot. Bonds4

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

1-[(4-bromophenyl)methyl]-3-(pyridin-2-ylmethyl)urea (PubChem CID 108899435) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-3-(pyridin-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-3-(pyridin-2-ylmethyl)urea
PubChem CID108899435
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC Name1-[(4-bromophenyl)methyl]-3-(pyridin-2-ylmethyl)urea
SMILESO=C(NCc1ccc(Br)cc1)NCc1ccccn1
InChIInChI=1S/C14H14BrN3O/c15-12-6-4-11(5-7-12)9-17-14(19)18-10-13-3-1-2-8-16-13/h1-8H,9-10H2,(H2,17,18,19)
InChIKeyZQEBVGPEYVSDQM-UHFFFAOYSA-N
XLogP2.84
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-bromophenyl)ethyl]-3-(pyridin-2-ylmethyl)urea
CID 108902321
2-(4-bromophenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 842504
1-[(4-bromophenyl)methyl]-3-pyridin-2-ylurea
CID 108894670
N-benzyl-N'-(pyridin-2-ylmethyl)oxamide
CID 3109924
N-[(4-fluorophenyl)methyl]-N'-(pyridin-2-ylmethyl)propanediamide
CID 108946374
1-[2-(5-bromo-2-fluorophenyl)ethyl]-3-(pyridin-2-ylmethyl)urea
CID 48629926
N'-(pyridin-2-ylmethyl)-N-(pyridin-4-ylmethyl)propanediamide
CID 108947438
1-(pyridin-2-ylmethyl)-3-(2,2,2-trifluoroethyl)urea
CID 47134204
2-methyl-N-[2-(pyridin-2-ylmethylcarbamoylamino)ethyl]propanamide
CID 47126081
1-(pyridin-2-ylmethyl)-3-(thiophen-2-ylmethyl)urea
CID 47125825
4-(acetamidomethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 18107584
1-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]-3-(pyridin-2-ylmethyl)urea
CID 75517689

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-3-(pyridin-2-ylmethyl)urea?
The IUPAC name of 1-[(4-bromophenyl)methyl]-3-(pyridin-2-ylmethyl)urea (CID 108899435) is 1-[(4-bromophenyl)methyl]-3-(pyridin-2-ylmethyl)urea.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-3-(pyridin-2-ylmethyl)urea?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-3-(pyridin-2-ylmethyl)urea is O=C(NCc1ccc(Br)cc1)NCc1ccccn1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-3-(pyridin-2-ylmethyl)urea?
The InChIKey is ZQEBVGPEYVSDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O/c15-12-6-4-11(5-7-12)9-17-14(19)18-10-13-3-1-2-8-16-13/h1-8H,9-10H2,(H2,17,18,19).
What are the key properties of 1-[(4-bromophenyl)methyl]-3-(pyridin-2-ylmethyl)urea?
1-[(4-bromophenyl)methyl]-3-(pyridin-2-ylmethyl)urea has a molecular weight of 320.19 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-3-(pyridin-2-ylmethyl)urea is sourced from PubChem (CID 108899435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).