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

C15H16BrN3O — CID 33252364

IUPAC1-[(1R)-1-(2-bromophenyl)ethyl]-3-(pyridin-3-ylmethyl)urea
SMILESC[C@@H](NC(=O)NCc1cccnc1)c1ccccc1Br
InChIInChI=1S/C15H16BrN3O/c1-11(13-6-2-3-7-14(13)16)19-15(20)18-10-12-5-4-8-17-9-12/h2-9,11H,10H2,1H3,(H2,18,19,20)/t11-/m1/s1
InChIKeyFLBMFJJMNYZWBB-LLVKDONJSA-N
MW334.22 g/mol
LogP3.40
Rot. Bonds4

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

1-[(1R)-1-(2-bromophenyl)ethyl]-3-(pyridin-3-ylmethyl)urea (PubChem CID 33252364) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is 1-[(1R)-1-(2-bromophenyl)ethyl]-3-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-[(1R)-1-(2-bromophenyl)ethyl]-3-(pyridin-3-ylmethyl)urea
PubChem CID33252364
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC Name1-[(1R)-1-(2-bromophenyl)ethyl]-3-(pyridin-3-ylmethyl)urea
SMILESC[C@@H](NC(=O)NCc1cccnc1)c1ccccc1Br
InChIInChI=1S/C15H16BrN3O/c1-11(13-6-2-3-7-14(13)16)19-15(20)18-10-12-5-4-8-17-9-12/h2-9,11H,10H2,1H3,(H2,18,19,20)/t11-/m1/s1
InChIKeyFLBMFJJMNYZWBB-LLVKDONJSA-N
XLogP3.40
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(1R)-1-(2-bromophenyl)ethyl]-3-(pyridin-3-ylmethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(2-methylphenyl)ethyl]-3-(pyridin-3-ylmethyl)urea
CID 47014443
1-[(1R)-1-phenylethyl]-3-(pyridin-3-ylmethyl)urea
CID 9115545
1-[1-(4-bromophenyl)ethyl]-3-(pyridin-3-ylmethyl)urea
CID 47014437
3-hydroxy-2-(pyridin-3-ylmethylcarbamoylamino)butanoic acid
CID 61200194
1-[1-(2-bromophenyl)ethyl]-3-[(2-ethoxy-3-pyridinyl)methyl]urea
CID 134006420
1-[1-(2-bromophenyl)ethyl]-3-[(3,4,5-trimethoxyphenyl)methyl]urea
CID 55483025
3-methyl-2-(pyridin-3-ylmethylcarbamoylamino)pentanoic acid
CID 4544659
1-[1-(2-bromophenyl)ethyl]-3-[(2-methylfuran-3-yl)methyl]urea
CID 60569703
1-[(E)-3-methylbut-1-enyl]-3-(pyridin-3-ylmethyl)urea
CID 108910928
N-[4-[(1S)-1-(pyridin-3-ylmethylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 94038983
3-bromo-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 107517841
N'-(2-hydroxypropyl)-N-(pyridin-3-ylmethyl)oxamide
CID 44998654

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2-bromophenyl)ethyl]-3-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-[(1R)-1-(2-bromophenyl)ethyl]-3-(pyridin-3-ylmethyl)urea (CID 33252364) is 1-[(1R)-1-(2-bromophenyl)ethyl]-3-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-[(1R)-1-(2-bromophenyl)ethyl]-3-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-[(1R)-1-(2-bromophenyl)ethyl]-3-(pyridin-3-ylmethyl)urea is C[C@@H](NC(=O)NCc1cccnc1)c1ccccc1Br.
What is the InChIKey of 1-[(1R)-1-(2-bromophenyl)ethyl]-3-(pyridin-3-ylmethyl)urea?
The InChIKey is FLBMFJJMNYZWBB-LLVKDONJSA-N. The full InChI is InChI=1S/C15H16BrN3O/c1-11(13-6-2-3-7-14(13)16)19-15(20)18-10-12-5-4-8-17-9-12/h2-9,11H,10H2,1H3,(H2,18,19,20)/t11-/m1/s1.
What are the key properties of 1-[(1R)-1-(2-bromophenyl)ethyl]-3-(pyridin-3-ylmethyl)urea?
1-[(1R)-1-(2-bromophenyl)ethyl]-3-(pyridin-3-ylmethyl)urea has a molecular weight of 334.22 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2-bromophenyl)ethyl]-3-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 33252364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).