1-(2,4-dibromo-6-methylphenyl)-3-phenylurea

C14H12Br2N2O — CID 4558595

IUPAC1-(2,4-dibromo-6-methylphenyl)-3-phenylurea
SMILESCc1cc(Br)cc(Br)c1NC(=O)Nc1ccccc1
InChIInChI=1S/C14H12Br2N2O/c1-9-7-10(15)8-12(16)13(9)18-14(19)17-11-5-3-2-4-6-11/h2-8H,1H3,(H2,17,18,19)
InChIKeyIEVBNENGRPWVCF-UHFFFAOYSA-N
MW384.07 g/mol
LogP5.16
Rot. Bonds2

About 1-(2,4-dibromo-6-methylphenyl)-3-phenylurea

1-(2,4-dibromo-6-methylphenyl)-3-phenylurea (PubChem CID 4558595) has the molecular formula C14H12Br2N2O and a molecular weight of 384.07 g/mol. Its IUPAC name is 1-(2,4-dibromo-6-methylphenyl)-3-phenylurea.

Molecular Properties

Compound Name1-(2,4-dibromo-6-methylphenyl)-3-phenylurea
PubChem CID4558595
Molecular FormulaC14H12Br2N2O
Molecular Weight384.07 g/mol
Exact Mass381.93
IUPAC Name1-(2,4-dibromo-6-methylphenyl)-3-phenylurea
SMILESCc1cc(Br)cc(Br)c1NC(=O)Nc1ccccc1
InChIInChI=1S/C14H12Br2N2O/c1-9-7-10(15)8-12(16)13(9)18-14(19)17-11-5-3-2-4-6-11/h2-8H,1H3,(H2,17,18,19)
InChIKeyIEVBNENGRPWVCF-UHFFFAOYSA-N
XLogP5.16
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.07
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-(2,4-dibromo-6-methylphenyl)-3-phenylurea 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-(2,4-dibromo-6-methylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 4180688
1-(3,5-dibromophenyl)-3-phenylurea
CID 25129837
1-(2-chloro-4,6-dimethylphenyl)-3-phenylurea
CID 731680
2-[2-(4-bromo-2,6-dimethylanilino)-2-oxoethyl]sulfanyl-N-phenylacetamide
CID 1333269
1-(2-bromo-5-methylphenyl)-3-phenylurea
CID 82707314
1-phenyl-3-(2,4,6-tribromophenyl)thiourea
CID 116507220
1-benzyl-3-(2-bromo-4,6-dimethylphenyl)urea
CID 103816632
1-[6-(4-bromo-2-methylanilino)pyridazin-3-yl]-3-phenylurea
CID 113050162
1-(4-bromo-3-methylphenyl)-3-[3-[(4-bromo-3-methylphenyl)carbamoylamino]phenyl]urea
CID 139171111
N-[3-[(4-bromophenyl)carbamoylamino]phenyl]acetamide
CID 6468047
1-(2-chloro-4,6-dimethylphenyl)-3-(3-methylphenyl)urea
CID 108888004
1-(2-amino-4-bromo-6-methylphenyl)-3-(2-chlorophenyl)urea
CID 43551461

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dibromo-6-methylphenyl)-3-phenylurea?
The IUPAC name of 1-(2,4-dibromo-6-methylphenyl)-3-phenylurea (CID 4558595) is 1-(2,4-dibromo-6-methylphenyl)-3-phenylurea.
What is the SMILES notation for 1-(2,4-dibromo-6-methylphenyl)-3-phenylurea?
The canonical SMILES for 1-(2,4-dibromo-6-methylphenyl)-3-phenylurea is Cc1cc(Br)cc(Br)c1NC(=O)Nc1ccccc1.
What is the InChIKey of 1-(2,4-dibromo-6-methylphenyl)-3-phenylurea?
The InChIKey is IEVBNENGRPWVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2N2O/c1-9-7-10(15)8-12(16)13(9)18-14(19)17-11-5-3-2-4-6-11/h2-8H,1H3,(H2,17,18,19).
What are the key properties of 1-(2,4-dibromo-6-methylphenyl)-3-phenylurea?
1-(2,4-dibromo-6-methylphenyl)-3-phenylurea has a molecular weight of 384.07 g/mol, XLogP of 5.16, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dibromo-6-methylphenyl)-3-phenylurea is sourced from PubChem (CID 4558595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).