1-[(2-bromophenyl)methyl]-3-[4-(diethylamino)-2-methylphenyl]urea

C19H24BrN3O — CID 108898002

IUPAC1-[(2-bromophenyl)methyl]-3-[4-(diethylamino)-2-methylphenyl]urea
SMILESCCN(CC)c1ccc(NC(=O)NCc2ccccc2Br)c(C)c1
InChIInChI=1S/C19H24BrN3O/c1-4-23(5-2)16-10-11-18(14(3)12-16)22-19(24)21-13-15-8-6-7-9-17(15)20/h6-12H,4-5,13H2,1-3H3,(H2,21,22,24)
InChIKeyCTHYPIAJOJVFPJ-UHFFFAOYSA-N
MW390.33 g/mol
LogP4.93
Rot. Bonds6

About 1-[(2-bromophenyl)methyl]-3-[4-(diethylamino)-2-methylphenyl]urea

1-[(2-bromophenyl)methyl]-3-[4-(diethylamino)-2-methylphenyl]urea (PubChem CID 108898002) has the molecular formula C19H24BrN3O and a molecular weight of 390.33 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methyl]-3-[4-(diethylamino)-2-methylphenyl]urea.

Molecular Properties

Compound Name1-[(2-bromophenyl)methyl]-3-[4-(diethylamino)-2-methylphenyl]urea
PubChem CID108898002
Molecular FormulaC19H24BrN3O
Molecular Weight390.33 g/mol
Exact Mass389.11
IUPAC Name1-[(2-bromophenyl)methyl]-3-[4-(diethylamino)-2-methylphenyl]urea
SMILESCCN(CC)c1ccc(NC(=O)NCc2ccccc2Br)c(C)c1
InChIInChI=1S/C19H24BrN3O/c1-4-23(5-2)16-10-11-18(14(3)12-16)22-19(24)21-13-15-8-6-7-9-17(15)20/h6-12H,4-5,13H2,1-3H3,(H2,21,22,24)
InChIKeyCTHYPIAJOJVFPJ-UHFFFAOYSA-N
XLogP4.93
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.33
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 1-[(2-bromophenyl)methyl]-3-[4-(diethylamino)-2-methylphenyl]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

1-benzyl-3-[4-(diethylamino)-2-methylphenyl]urea chloride
CID 108871335
1-[(2-bromophenyl)methyl]-3-(2,4-dimethylphenyl)urea
CID 108897860
1-[4-(diethylamino)-2-methylphenyl]-3-phenylurea
CID 46859691
1-[2-(2-chlorophenyl)ethyl]-3-[4-(diethylamino)-2-methylphenyl]urea chloride
CID 108900384
1-[2-(4-bromophenyl)ethyl]-3-[4-(diethylamino)-2-methylphenyl]urea
CID 108902455
1-[4-(diethylamino)-2-methylphenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 108868243
1-[4-(diethylamino)-2-methylphenyl]-3-(2-iodophenyl)urea
CID 108869059
N-[4-(diethylamino)-2-methylphenyl]-N'-(2-ethylphenyl)propanediamide
CID 108953999
1-[4-(diethylamino)-2-methylphenyl]-3-dodecylurea
CID 20826590
1-[4-(diethylamino)-2-methylphenyl]-3-(2-phenoxyethyl)urea chloride
CID 108887125
2-bromo-N-[[4-(diethylamino)-2-methylphenyl]carbamothioyl]benzamide
CID 22777334
N-[4-(diethylamino)-2-methylphenyl]-2-[(2-fluorophenyl)methylamino]acetamide
CID 108997613

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromophenyl)methyl]-3-[4-(diethylamino)-2-methylphenyl]urea?
The IUPAC name of 1-[(2-bromophenyl)methyl]-3-[4-(diethylamino)-2-methylphenyl]urea (CID 108898002) is 1-[(2-bromophenyl)methyl]-3-[4-(diethylamino)-2-methylphenyl]urea.
What is the SMILES notation for 1-[(2-bromophenyl)methyl]-3-[4-(diethylamino)-2-methylphenyl]urea?
The canonical SMILES for 1-[(2-bromophenyl)methyl]-3-[4-(diethylamino)-2-methylphenyl]urea is CCN(CC)c1ccc(NC(=O)NCc2ccccc2Br)c(C)c1.
What is the InChIKey of 1-[(2-bromophenyl)methyl]-3-[4-(diethylamino)-2-methylphenyl]urea?
The InChIKey is CTHYPIAJOJVFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN3O/c1-4-23(5-2)16-10-11-18(14(3)12-16)22-19(24)21-13-15-8-6-7-9-17(15)20/h6-12H,4-5,13H2,1-3H3,(H2,21,22,24).
What are the key properties of 1-[(2-bromophenyl)methyl]-3-[4-(diethylamino)-2-methylphenyl]urea?
1-[(2-bromophenyl)methyl]-3-[4-(diethylamino)-2-methylphenyl]urea has a molecular weight of 390.33 g/mol, XLogP of 4.93, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromophenyl)methyl]-3-[4-(diethylamino)-2-methylphenyl]urea is sourced from PubChem (CID 108898002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).