1-(4-bromophenyl)-3-[4-(dimethylamino)phenyl]urea

C15H16BrN3O — CID 100973286

IUPAC1-(4-bromophenyl)-3-[4-(dimethylamino)phenyl]urea
SMILESCN(C)c1ccc(NC(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C15H16BrN3O/c1-19(2)14-9-7-13(8-10-14)18-15(20)17-12-5-3-11(16)4-6-12/h3-10H,1-2H3,(H2,17,18,20)
InChIKeyQVKVZNFWTAKOPB-UHFFFAOYSA-N
MW334.22 g/mol
LogP4.16
Rot. Bonds3

About 1-(4-bromophenyl)-3-[4-(dimethylamino)phenyl]urea

1-(4-bromophenyl)-3-[4-(dimethylamino)phenyl]urea (PubChem CID 100973286) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-[4-(dimethylamino)phenyl]urea.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-[4-(dimethylamino)phenyl]urea
PubChem CID100973286
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC Name1-(4-bromophenyl)-3-[4-(dimethylamino)phenyl]urea
SMILESCN(C)c1ccc(NC(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C15H16BrN3O/c1-19(2)14-9-7-13(8-10-14)18-15(20)17-12-5-3-11(16)4-6-12/h3-10H,1-2H3,(H2,17,18,20)
InChIKeyQVKVZNFWTAKOPB-UHFFFAOYSA-N
XLogP4.16
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 54.16
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-(4-bromophenyl)-3-[4-(dimethylamino)phenyl]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-[4-(diethylamino)phenyl]-3-[4-(dimethylamino)phenyl]urea
CID 23366297
1-[4-(aminomethyl)phenyl]-3-[4-(dimethylamino)phenyl]urea
CID 43617199
1-[4-(dimethylamino)phenyl]-3-(3,4-dimethylphenyl)urea
CID 5096263
1-[4-(dimethylamino)phenyl]-3-ethenylurea
CID 108909228
1-[4-(dimethylamino)phenyl]-3-(2-hydroxyphenyl)urea
CID 71414128
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 4-bromobenzoate
CID 2103505
1-(2,6-dichlorophenyl)-3-[4-(dimethylamino)phenyl]urea
CID 108894872
1-(4-aminophenyl)-3-(4-bromophenyl)urea
CID 43469017
2-amino-4-bromo-N-[4-(dimethylamino)phenyl]benzamide
CID 79713794
1-[4-(dimethylamino)phenyl]-3-(1,2-oxazol-5-yl)urea
CID 108814115
1-(4-bromophenyl)-3-pyridin-4-ylurea
CID 677050
(E)-N-[4-(dimethylamino)phenyl]-2-methylbut-2-enamide
CID 134939833

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-[4-(dimethylamino)phenyl]urea?
The IUPAC name of 1-(4-bromophenyl)-3-[4-(dimethylamino)phenyl]urea (CID 100973286) is 1-(4-bromophenyl)-3-[4-(dimethylamino)phenyl]urea.
What is the SMILES notation for 1-(4-bromophenyl)-3-[4-(dimethylamino)phenyl]urea?
The canonical SMILES for 1-(4-bromophenyl)-3-[4-(dimethylamino)phenyl]urea is CN(C)c1ccc(NC(=O)Nc2ccc(Br)cc2)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-[4-(dimethylamino)phenyl]urea?
The InChIKey is QVKVZNFWTAKOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c1-19(2)14-9-7-13(8-10-14)18-15(20)17-12-5-3-11(16)4-6-12/h3-10H,1-2H3,(H2,17,18,20).
What are the key properties of 1-(4-bromophenyl)-3-[4-(dimethylamino)phenyl]urea?
1-(4-bromophenyl)-3-[4-(dimethylamino)phenyl]urea has a molecular weight of 334.22 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-[4-(dimethylamino)phenyl]urea is sourced from PubChem (CID 100973286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).