1-[2-(3-bromophenyl)ethyl]-3-pyridin-2-ylurea

C14H14BrN3O — CID 108894672

IUPAC1-[2-(3-bromophenyl)ethyl]-3-pyridin-2-ylurea
SMILESO=C(NCCc1cccc(Br)c1)Nc1ccccn1
InChIInChI=1S/C14H14BrN3O/c15-12-5-3-4-11(10-12)7-9-17-14(19)18-13-6-1-2-8-16-13/h1-6,8,10H,7,9H2,(H2,16,17,18,19)
InChIKeyIPRORDZZVHGNNW-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.21
Rot. Bonds4

About 1-[2-(3-bromophenyl)ethyl]-3-pyridin-2-ylurea

1-[2-(3-bromophenyl)ethyl]-3-pyridin-2-ylurea (PubChem CID 108894672) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is 1-[2-(3-bromophenyl)ethyl]-3-pyridin-2-ylurea.

Molecular Properties

Compound Name1-[2-(3-bromophenyl)ethyl]-3-pyridin-2-ylurea
PubChem CID108894672
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC Name1-[2-(3-bromophenyl)ethyl]-3-pyridin-2-ylurea
SMILESO=C(NCCc1cccc(Br)c1)Nc1ccccn1
InChIInChI=1S/C14H14BrN3O/c15-12-5-3-4-11(10-12)7-9-17-14(19)18-13-6-1-2-8-16-13/h1-6,8,10H,7,9H2,(H2,16,17,18,19)
InChIKeyIPRORDZZVHGNNW-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3-bromophenyl)ethyl]-3-pyrimidin-2-ylurea
CID 108901668
1-[2-(3-bromophenyl)ethyl]-3-pyrazin-2-ylurea
CID 108893891
1-[2-(3-chlorophenyl)ethyl]-3-pyridin-2-ylurea
CID 47240493
1-[2-(3-methoxyphenyl)ethyl]-3-pyridin-2-ylurea
CID 47248692
1-benzyl-3-[2-(3-bromophenyl)ethyl]urea
CID 108871346
1-[2-(3-bromophenyl)ethyl]-3-naphthalen-2-ylurea
CID 108901727
1-[(4-bromophenyl)methyl]-3-pyridin-2-ylurea
CID 108894670
1-(4-aminophenyl)-3-[2-(3-bromophenyl)ethyl]urea
CID 108897082
1-[2-(3-bromophenyl)ethyl]-3-(pyridin-4-ylmethyl)urea
CID 108901652
1-[2-(3-bromophenyl)ethyl]-3-(3,4-diethoxyphenyl)urea
CID 108901661
3-[2-(3-bromophenyl)ethylcarbamoylamino]benzoic acid
CID 108901553
1-[(3-bromophenyl)methyl]-3-(2-phenylethyl)urea
CID 60601402

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromophenyl)ethyl]-3-pyridin-2-ylurea?
The IUPAC name of 1-[2-(3-bromophenyl)ethyl]-3-pyridin-2-ylurea (CID 108894672) is 1-[2-(3-bromophenyl)ethyl]-3-pyridin-2-ylurea.
What is the SMILES notation for 1-[2-(3-bromophenyl)ethyl]-3-pyridin-2-ylurea?
The canonical SMILES for 1-[2-(3-bromophenyl)ethyl]-3-pyridin-2-ylurea is O=C(NCCc1cccc(Br)c1)Nc1ccccn1.
What is the InChIKey of 1-[2-(3-bromophenyl)ethyl]-3-pyridin-2-ylurea?
The InChIKey is IPRORDZZVHGNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O/c15-12-5-3-4-11(10-12)7-9-17-14(19)18-13-6-1-2-8-16-13/h1-6,8,10H,7,9H2,(H2,16,17,18,19).
What are the key properties of 1-[2-(3-bromophenyl)ethyl]-3-pyridin-2-ylurea?
1-[2-(3-bromophenyl)ethyl]-3-pyridin-2-ylurea has a molecular weight of 320.19 g/mol, XLogP of 3.21, 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-pyridin-2-ylurea is sourced from PubChem (CID 108894672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).