1-(4-bromo-2,6-dichlorophenyl)-3-propylurea

C10H11BrCl2N2O — CID 115571566

IUPAC1-(4-bromo-2,6-dichlorophenyl)-3-propylurea
SMILESCCCNC(=O)Nc1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C10H11BrCl2N2O/c1-2-3-14-10(16)15-9-7(12)4-6(11)5-8(9)13/h4-5H,2-3H2,1H3,(H2,14,15,16)
InChIKeyKGNZGCBJSGNPEC-UHFFFAOYSA-N
MW326.02 g/mol
LogP4.29
Rot. Bonds3

About 1-(4-bromo-2,6-dichlorophenyl)-3-propylurea

1-(4-bromo-2,6-dichlorophenyl)-3-propylurea (PubChem CID 115571566) has the molecular formula C10H11BrCl2N2O and a molecular weight of 326.02 g/mol. Its IUPAC name is 1-(4-bromo-2,6-dichlorophenyl)-3-propylurea.

Molecular Properties

Compound Name1-(4-bromo-2,6-dichlorophenyl)-3-propylurea
PubChem CID115571566
Molecular FormulaC10H11BrCl2N2O
Molecular Weight326.02 g/mol
Exact Mass323.94
IUPAC Name1-(4-bromo-2,6-dichlorophenyl)-3-propylurea
SMILESCCCNC(=O)Nc1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C10H11BrCl2N2O/c1-2-3-14-10(16)15-9-7(12)4-6(11)5-8(9)13/h4-5H,2-3H2,1H3,(H2,14,15,16)
InChIKeyKGNZGCBJSGNPEC-UHFFFAOYSA-N
XLogP4.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.02
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-(4-bromo-2,6-dichlorophenyl)-3-propylurea 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-(5-bromo-2-chlorophenyl)-3-propylurea
CID 55027920
N-(4-bromo-2,6-dichlorophenyl)acetamide
CID 12622270
3,5-dichloro-N-(diaminomethylidene)-4-(propylcarbamoylamino)benzamide;hydrochloride
CID 23205951
(2S)-3-[(4-bromo-2,6-dichlorophenyl)carbamoylamino]-2-hydroxypropanoic acid
CID 107838042
1-[[(4-bromo-2,6-dichlorophenyl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 115446329
1-(3-chloro-2,6-diethylphenyl)-3-propylurea
CID 47108166
N-(4-bromo-2,6-dichlorophenyl)-3-(tert-butylamino)propanamide
CID 54928480
ethyl 2-(4-bromo-2,6-dichloroanilino)-2-oxoacetate
CID 60893377
3-(4-bromo-2,6-dichlorophenyl)-1,1-dimethylurea
CID 116654094
1-(4-bromo-2,6-dimethylphenyl)-3-(2-hydroxyethyl)urea
CID 47237413
1-butyl-3-(2-chloro-4,6-difluorophenyl)urea
CID 115871717
1-(4-bromo-2-ethylphenyl)-3-propylurea
CID 6467713

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,6-dichlorophenyl)-3-propylurea?
The IUPAC name of 1-(4-bromo-2,6-dichlorophenyl)-3-propylurea (CID 115571566) is 1-(4-bromo-2,6-dichlorophenyl)-3-propylurea.
What is the SMILES notation for 1-(4-bromo-2,6-dichlorophenyl)-3-propylurea?
The canonical SMILES for 1-(4-bromo-2,6-dichlorophenyl)-3-propylurea is CCCNC(=O)Nc1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 1-(4-bromo-2,6-dichlorophenyl)-3-propylurea?
The InChIKey is KGNZGCBJSGNPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrCl2N2O/c1-2-3-14-10(16)15-9-7(12)4-6(11)5-8(9)13/h4-5H,2-3H2,1H3,(H2,14,15,16).
What are the key properties of 1-(4-bromo-2,6-dichlorophenyl)-3-propylurea?
1-(4-bromo-2,6-dichlorophenyl)-3-propylurea has a molecular weight of 326.02 g/mol, XLogP of 4.29, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,6-dichlorophenyl)-3-propylurea is sourced from PubChem (CID 115571566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).