1-(2-bromophenyl)-3-pentan-3-ylurea

C12H17BrN2O — CID 108888381

IUPAC1-(2-bromophenyl)-3-pentan-3-ylurea
SMILESCCC(CC)NC(=O)Nc1ccccc1Br
InChIInChI=1S/C12H17BrN2O/c1-3-9(4-2)14-12(16)15-11-8-6-5-7-10(11)13/h5-9H,3-4H2,1-2H3,(H2,14,15,16)
InChIKeyWKTWFPLMGWZMIF-UHFFFAOYSA-N
MW285.18 g/mol
LogP3.76
Rot. Bonds4

About 1-(2-bromophenyl)-3-pentan-3-ylurea

1-(2-bromophenyl)-3-pentan-3-ylurea (PubChem CID 108888381) has the molecular formula C12H17BrN2O and a molecular weight of 285.18 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-pentan-3-ylurea.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-pentan-3-ylurea
PubChem CID108888381
Molecular FormulaC12H17BrN2O
Molecular Weight285.18 g/mol
Exact Mass284.05
IUPAC Name1-(2-bromophenyl)-3-pentan-3-ylurea
SMILESCCC(CC)NC(=O)Nc1ccccc1Br
InChIInChI=1S/C12H17BrN2O/c1-3-9(4-2)14-12(16)15-11-8-6-5-7-10(11)13/h5-9H,3-4H2,1-2H3,(H2,14,15,16)
InChIKeyWKTWFPLMGWZMIF-UHFFFAOYSA-N
XLogP3.76
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.18
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-(2-bromophenyl)-3-pentan-3-ylurea 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-(2-chlorophenyl)-3-pentan-3-ylurea
CID 47103627
4-bromo-3-(pentan-3-ylcarbamoylamino)benzoic acid
CID 107813902
(2S)-2-[(2-bromophenyl)carbamoylamino]pentanoic acid
CID 107566056
2-amino-N-(2-bromophenyl)butanamide
CID 43649425
1-(2-cyanophenyl)-3-pentan-3-ylurea
CID 108888228
1-pentan-3-yl-3-(2-phenylsulfanylphenyl)urea
CID 108888275
1-(2-bromophenyl)-3-(4-phenylbutan-2-yl)urea
CID 17217829
(2S)-2-[(2-bromophenyl)carbamoylamino]-3-hydroxypropanoic acid
CID 61191334
1-(2-bromophenyl)-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)urea
CID 71672126
N-(2-bromophenyl)-2-propylpentanamide
CID 115532233
3-[(2,6-dibromophenyl)carbamoylamino]pentanoic acid
CID 107601726
1-[2-(2-methylpropoxy)phenyl]-3-pentan-3-ylurea
CID 47264632

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-pentan-3-ylurea?
The IUPAC name of 1-(2-bromophenyl)-3-pentan-3-ylurea (CID 108888381) is 1-(2-bromophenyl)-3-pentan-3-ylurea.
What is the SMILES notation for 1-(2-bromophenyl)-3-pentan-3-ylurea?
The canonical SMILES for 1-(2-bromophenyl)-3-pentan-3-ylurea is CCC(CC)NC(=O)Nc1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-3-pentan-3-ylurea?
The InChIKey is WKTWFPLMGWZMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-3-9(4-2)14-12(16)15-11-8-6-5-7-10(11)13/h5-9H,3-4H2,1-2H3,(H2,14,15,16).
What are the key properties of 1-(2-bromophenyl)-3-pentan-3-ylurea?
1-(2-bromophenyl)-3-pentan-3-ylurea has a molecular weight of 285.18 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-pentan-3-ylurea is sourced from PubChem (CID 108888381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).