1-(2,4-dibromophenyl)-3-[(1S)-1-pyridin-2-ylethyl]urea

C14H13Br2N3O — CID 51944656

IUPAC1-(2,4-dibromophenyl)-3-[(1S)-1-pyridin-2-ylethyl]urea
SMILESC[C@H](NC(=O)Nc1ccc(Br)cc1Br)c1ccccn1
InChIInChI=1S/C14H13Br2N3O/c1-9(12-4-2-3-7-17-12)18-14(20)19-13-6-5-10(15)8-11(13)16/h2-9H,1H3,(H2,18,19,20)/t9-/m0/s1
InChIKeyZAXCPECSYXAYBW-VIFPVBQESA-N
MW399.09 g/mol
LogP4.49
Rot. Bonds3

About 1-(2,4-dibromophenyl)-3-[(1S)-1-pyridin-2-ylethyl]urea

1-(2,4-dibromophenyl)-3-[(1S)-1-pyridin-2-ylethyl]urea (PubChem CID 51944656) has the molecular formula C14H13Br2N3O and a molecular weight of 399.09 g/mol. Its IUPAC name is 1-(2,4-dibromophenyl)-3-[(1S)-1-pyridin-2-ylethyl]urea.

Molecular Properties

Compound Name1-(2,4-dibromophenyl)-3-[(1S)-1-pyridin-2-ylethyl]urea
PubChem CID51944656
Molecular FormulaC14H13Br2N3O
Molecular Weight399.09 g/mol
Exact Mass396.94
IUPAC Name1-(2,4-dibromophenyl)-3-[(1S)-1-pyridin-2-ylethyl]urea
SMILESC[C@H](NC(=O)Nc1ccc(Br)cc1Br)c1ccccn1
InChIInChI=1S/C14H13Br2N3O/c1-9(12-4-2-3-7-17-12)18-14(20)19-13-6-5-10(15)8-11(13)16/h2-9H,1H3,(H2,18,19,20)/t9-/m0/s1
InChIKeyZAXCPECSYXAYBW-VIFPVBQESA-N
XLogP4.49
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.09
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(2,4-dibromophenyl)-3-[(1S)-1-pyridin-2-ylethyl]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

N-(4-bromo-2-methylphenyl)-2-(1-pyridin-2-ylethylcarbamoylamino)acetamide
CID 42954179
5-bromo-2-methyl-N-(1-pyridin-2-ylethyl)benzamide
CID 65307460
1-(5-chloro-2-methoxyphenyl)-3-(1-pyridin-2-ylethyl)urea
CID 17182579
1-[2-(5-bromo-2-fluorophenyl)ethyl]-3-(1-pyridin-2-ylethyl)urea
CID 48636675
1-(4-propan-2-ylphenyl)-3-(1-pyridin-2-ylethyl)urea
CID 17182556
1-(3-chlorophenyl)-3-[(1R)-1-pyridin-2-ylethyl]urea
CID 41083408
2-chloro-N-(1-pyridin-2-ylethyl)propanamide
CID 43523379
1-(3-methylsulfanylphenyl)-3-(1-pyridin-2-ylethyl)urea
CID 17182597
1-[2-(3-methoxypropoxy)phenyl]-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 94550940
1-butan-2-yl-3-(1-pyridin-2-ylethyl)urea
CID 75415056
2-bromo-2-methyl-N-(1-pyridin-2-ylethyl)propanamide
CID 114327632
2-bromo-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 81401514

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dibromophenyl)-3-[(1S)-1-pyridin-2-ylethyl]urea?
The IUPAC name of 1-(2,4-dibromophenyl)-3-[(1S)-1-pyridin-2-ylethyl]urea (CID 51944656) is 1-(2,4-dibromophenyl)-3-[(1S)-1-pyridin-2-ylethyl]urea.
What is the SMILES notation for 1-(2,4-dibromophenyl)-3-[(1S)-1-pyridin-2-ylethyl]urea?
The canonical SMILES for 1-(2,4-dibromophenyl)-3-[(1S)-1-pyridin-2-ylethyl]urea is C[C@H](NC(=O)Nc1ccc(Br)cc1Br)c1ccccn1.
What is the InChIKey of 1-(2,4-dibromophenyl)-3-[(1S)-1-pyridin-2-ylethyl]urea?
The InChIKey is ZAXCPECSYXAYBW-VIFPVBQESA-N. The full InChI is InChI=1S/C14H13Br2N3O/c1-9(12-4-2-3-7-17-12)18-14(20)19-13-6-5-10(15)8-11(13)16/h2-9H,1H3,(H2,18,19,20)/t9-/m0/s1.
What are the key properties of 1-(2,4-dibromophenyl)-3-[(1S)-1-pyridin-2-ylethyl]urea?
1-(2,4-dibromophenyl)-3-[(1S)-1-pyridin-2-ylethyl]urea has a molecular weight of 399.09 g/mol, XLogP of 4.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dibromophenyl)-3-[(1S)-1-pyridin-2-ylethyl]urea is sourced from PubChem (CID 51944656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).