1-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-3-(3-chlorophenyl)urea

C15H13BrClN3O2 — CID 110533512

IUPAC1-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-3-(3-chlorophenyl)urea
SMILESCOc1ccc(Br)cc1/C=N\NC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C15H13BrClN3O2/c1-22-14-6-5-11(16)7-10(14)9-18-20-15(21)19-13-4-2-3-12(17)8-13/h2-9H,1H3,(H2,19,20,21)/b18-9-
InChIKeyXMWUCFBGJFWIKF-NVMNQCDNSA-N
MW382.65 g/mol
LogP4.27
Rot. Bonds4

About 1-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-3-(3-chlorophenyl)urea

1-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-3-(3-chlorophenyl)urea (PubChem CID 110533512) has the molecular formula C15H13BrClN3O2 and a molecular weight of 382.65 g/mol. Its IUPAC name is 1-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-3-(3-chlorophenyl)urea.

Molecular Properties

Compound Name1-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-3-(3-chlorophenyl)urea
PubChem CID110533512
Molecular FormulaC15H13BrClN3O2
Molecular Weight382.65 g/mol
Exact Mass380.99
IUPAC Name1-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-3-(3-chlorophenyl)urea
SMILESCOc1ccc(Br)cc1/C=N\NC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C15H13BrClN3O2/c1-22-14-6-5-11(16)7-10(14)9-18-20-15(21)19-13-4-2-3-12(17)8-13/h2-9H,1H3,(H2,19,20,21)/b18-9-
InChIKeyXMWUCFBGJFWIKF-NVMNQCDNSA-N
XLogP4.27
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.65
LogP ≤ 54.27
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'}

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Related Compounds

1-(3-chlorophenyl)-3-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]urea
CID 110534842
1-(3-chlorophenyl)-3-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]urea
CID 19172582
N'-[(5-bromo-2-methoxyphenyl)methylideneamino]-N-(4-chloro-2-methylphenyl)oxamide
CID 4159883
1-(3-bromophenyl)-3-[(E)-(3-methoxy-2-propan-2-yloxyphenyl)methylideneamino]urea
CID 126027268
3-bromo-N-[(5-bromo-2-methoxyphenyl)methylideneamino]benzamide
CID 1245790
1-(3-chlorophenyl)-3-[(Z)-(3-methoxy-4-pentoxyphenyl)methylideneamino]urea
CID 110533106
N'-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-(3-chlorophenyl)butanediamide
CID 3954725
N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-5-chloro-2-hydroxybenzamide
CID 6113383
N-[(5-bromo-2-methoxyphenyl)methylideneamino]-2-(4-chloroanilino)acetamide
CID 4573568
1-[(5-bromo-2-methoxyphenyl)methylideneamino]-3-phenylthiourea
CID 5150962
2-anilino-N-[(5-bromo-2-methoxyphenyl)methylideneamino]acetamide
CID 2824721
N-[(5-bromo-2-methoxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 1244687

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-3-(3-chlorophenyl)urea?
The IUPAC name of 1-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-3-(3-chlorophenyl)urea (CID 110533512) is 1-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-3-(3-chlorophenyl)urea.
What is the SMILES notation for 1-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-3-(3-chlorophenyl)urea?
The canonical SMILES for 1-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-3-(3-chlorophenyl)urea is COc1ccc(Br)cc1/C=N\NC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 1-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-3-(3-chlorophenyl)urea?
The InChIKey is XMWUCFBGJFWIKF-NVMNQCDNSA-N. The full InChI is InChI=1S/C15H13BrClN3O2/c1-22-14-6-5-11(16)7-10(14)9-18-20-15(21)19-13-4-2-3-12(17)8-13/h2-9H,1H3,(H2,19,20,21)/b18-9-.
What are the key properties of 1-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-3-(3-chlorophenyl)urea?
1-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-3-(3-chlorophenyl)urea has a molecular weight of 382.65 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-3-(3-chlorophenyl)urea is sourced from PubChem (CID 110533512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).