1-[(E)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]-3-(2,3-dimethylphenyl)urea

C23H21Br2N3O2 — CID 126194341

IUPAC1-[(E)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]-3-(2,3-dimethylphenyl)urea
SMILESCc1cccc(NC(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3Br)cc2)c1C
InChIInChI=1S/C23H21Br2N3O2/c1-15-4-3-5-22(16(15)2)27-23(29)28-26-13-17-6-10-20(11-7-17)30-14-18-8-9-19(24)12-21(18)25/h3-13H,14H2,1-2H3,(H2,27,28,29)/b26-13+
InChIKeyAEWFXJAKDPPRMY-LGJNPRDNSA-N
MW531.25 g/mol
LogP6.56
Rot. Bonds6

About 1-[(E)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]-3-(2,3-dimethylphenyl)urea

1-[(E)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]-3-(2,3-dimethylphenyl)urea (PubChem CID 126194341) has the molecular formula C23H21Br2N3O2 and a molecular weight of 531.25 g/mol. Its IUPAC name is 1-[(E)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]-3-(2,3-dimethylphenyl)urea.

Molecular Properties

Compound Name1-[(E)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]-3-(2,3-dimethylphenyl)urea
PubChem CID126194341
Molecular FormulaC23H21Br2N3O2
Molecular Weight531.25 g/mol
Exact Mass529.00
IUPAC Name1-[(E)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]-3-(2,3-dimethylphenyl)urea
SMILESCc1cccc(NC(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3Br)cc2)c1C
InChIInChI=1S/C23H21Br2N3O2/c1-15-4-3-5-22(16(15)2)27-23(29)28-26-13-17-6-10-20(11-7-17)30-14-18-8-9-19(24)12-21(18)25/h3-13H,14H2,1-2H3,(H2,27,28,29)/b26-13+
InChIKeyAEWFXJAKDPPRMY-LGJNPRDNSA-N
XLogP6.56
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.25
LogP ≤ 56.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[(E)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]-3-(2,3-dimethylphenyl)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-chlorophenyl)-3-[(E)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]urea
CID 126192638
1-(2-methylphenyl)-3-[[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]urea
CID 3303187
1-(2-methylphenyl)-3-[(4-phenylmethoxyphenyl)methylideneamino]urea
CID 4309839
N-[(Z)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 126191522
N-[(Z)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]naphthalene-2-carboxamide
CID 126193121
N-[(Z)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]-2-methoxy-4-methylbenzamide
CID 126193582
N-[(Z)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]-4-(2,5-dimethylpyrrol-1-yl)benzamide
CID 126193653
1-(2-methylphenyl)-3-[[4-(2-methylpropoxy)phenyl]methylideneamino]urea
CID 926788
1-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-3-(2-methylphenyl)urea
CID 5227027
(Z)-N-(3-chloro-2-methylphenyl)-2-cyano-3-[4-[(2,4-dibromophenyl)methoxy]phenyl]prop-2-enamide
CID 126193334
1-(2,3-dimethylphenyl)-3-[(4-phenylmethoxyphenyl)methylideneamino]thiourea
CID 4024550
N-(2,3-dimethylphenyl)-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide
CID 8988908

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]-3-(2,3-dimethylphenyl)urea?
The IUPAC name of 1-[(E)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]-3-(2,3-dimethylphenyl)urea (CID 126194341) is 1-[(E)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]-3-(2,3-dimethylphenyl)urea.
What is the SMILES notation for 1-[(E)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]-3-(2,3-dimethylphenyl)urea?
The canonical SMILES for 1-[(E)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]-3-(2,3-dimethylphenyl)urea is Cc1cccc(NC(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3Br)cc2)c1C.
What is the InChIKey of 1-[(E)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]-3-(2,3-dimethylphenyl)urea?
The InChIKey is AEWFXJAKDPPRMY-LGJNPRDNSA-N. The full InChI is InChI=1S/C23H21Br2N3O2/c1-15-4-3-5-22(16(15)2)27-23(29)28-26-13-17-6-10-20(11-7-17)30-14-18-8-9-19(24)12-21(18)25/h3-13H,14H2,1-2H3,(H2,27,28,29)/b26-13+.
What are the key properties of 1-[(E)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]-3-(2,3-dimethylphenyl)urea?
1-[(E)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]-3-(2,3-dimethylphenyl)urea has a molecular weight of 531.25 g/mol, XLogP of 6.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]-3-(2,3-dimethylphenyl)urea is sourced from PubChem (CID 126194341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).