1-(4-bromo-3-iodophenyl)-3-propan-2-ylurea

C10H12BrIN2O — CID 130158679

IUPAC1-(4-bromo-3-iodophenyl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccc(Br)c(I)c1
InChIInChI=1S/C10H12BrIN2O/c1-6(2)13-10(15)14-7-3-4-8(11)9(12)5-7/h3-6H,1-2H3,(H2,13,14,15)
InChIKeyWVEDQSRXJOXHBE-UHFFFAOYSA-N
MW383.03 g/mol
LogP3.58
Rot. Bonds2

About 1-(4-bromo-3-iodophenyl)-3-propan-2-ylurea

1-(4-bromo-3-iodophenyl)-3-propan-2-ylurea (PubChem CID 130158679) has the molecular formula C10H12BrIN2O and a molecular weight of 383.03 g/mol. Its IUPAC name is 1-(4-bromo-3-iodophenyl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(4-bromo-3-iodophenyl)-3-propan-2-ylurea
PubChem CID130158679
Molecular FormulaC10H12BrIN2O
Molecular Weight383.03 g/mol
Exact Mass381.92
IUPAC Name1-(4-bromo-3-iodophenyl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccc(Br)c(I)c1
InChIInChI=1S/C10H12BrIN2O/c1-6(2)13-10(15)14-7-3-4-8(11)9(12)5-7/h3-6H,1-2H3,(H2,13,14,15)
InChIKeyWVEDQSRXJOXHBE-UHFFFAOYSA-N
XLogP3.58
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.03
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromophenyl)-3-propan-2-ylurea
CID 3403454
N-(4-bromo-3-iodophenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 114259357
N-(4-bromo-3-iodophenyl)-1-methylcyclopropane-1-carboxamide
CID 130162731
1-(3,5-dimethylphenyl)-3-propan-2-ylurea
CID 4054179
1-(2-bromo-5-methylphenyl)-3-propan-2-ylurea
CID 82706454
2-bromo-5-(3-methylbutan-2-ylcarbamoylamino)benzoic acid
CID 113281201
methyl 3-(4-bromo-3-iodoanilino)-2-methylbutanoate
CID 114260399
N-(4-bromo-3-iodophenyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 113231155
1-propan-2-yl-3-(3-propan-2-ylphenyl)urea
CID 47173712
1-(4-bromo-3-methylphenyl)-3-(1-phenylethyl)urea
CID 47194369
1-[4-(1-aminoethyl)phenyl]-3-propan-2-ylurea
CID 43208686
4-(propan-2-ylcarbamoylamino)benzamide
CID 47027880

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-iodophenyl)-3-propan-2-ylurea?
The IUPAC name of 1-(4-bromo-3-iodophenyl)-3-propan-2-ylurea (CID 130158679) is 1-(4-bromo-3-iodophenyl)-3-propan-2-ylurea.
What is the SMILES notation for 1-(4-bromo-3-iodophenyl)-3-propan-2-ylurea?
The canonical SMILES for 1-(4-bromo-3-iodophenyl)-3-propan-2-ylurea is CC(C)NC(=O)Nc1ccc(Br)c(I)c1.
What is the InChIKey of 1-(4-bromo-3-iodophenyl)-3-propan-2-ylurea?
The InChIKey is WVEDQSRXJOXHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrIN2O/c1-6(2)13-10(15)14-7-3-4-8(11)9(12)5-7/h3-6H,1-2H3,(H2,13,14,15).
What are the key properties of 1-(4-bromo-3-iodophenyl)-3-propan-2-ylurea?
1-(4-bromo-3-iodophenyl)-3-propan-2-ylurea has a molecular weight of 383.03 g/mol, XLogP of 3.58, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-iodophenyl)-3-propan-2-ylurea is sourced from PubChem (CID 130158679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).