1-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-3-(3-chlorophenyl)urea

C14H11BrClN3O2 — CID 136781887

IUPAC1-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-3-(3-chlorophenyl)urea
SMILESO=C(N/N=C\c1ccc(O)c(Br)c1)Nc1cccc(Cl)c1
InChIInChI=1S/C14H11BrClN3O2/c15-12-6-9(4-5-13(12)20)8-17-19-14(21)18-11-3-1-2-10(16)7-11/h1-8,20H,(H2,18,19,21)/b17-8-
InChIKeyFQAULSVJNSUEBE-IUXPMGMMSA-N
MW368.62 g/mol
LogP3.96
Rot. Bonds3

About 1-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-3-(3-chlorophenyl)urea

1-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-3-(3-chlorophenyl)urea (PubChem CID 136781887) has the molecular formula C14H11BrClN3O2 and a molecular weight of 368.62 g/mol. Its IUPAC name is 1-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-3-(3-chlorophenyl)urea.

Molecular Properties

Compound Name1-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-3-(3-chlorophenyl)urea
PubChem CID136781887
Molecular FormulaC14H11BrClN3O2
Molecular Weight368.62 g/mol
Exact Mass366.97
IUPAC Name1-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-3-(3-chlorophenyl)urea
SMILESO=C(N/N=C\c1ccc(O)c(Br)c1)Nc1cccc(Cl)c1
InChIInChI=1S/C14H11BrClN3O2/c15-12-6-9(4-5-13(12)20)8-17-19-14(21)18-11-3-1-2-10(16)7-11/h1-8,20H,(H2,18,19,21)/b17-8-
InChIKeyFQAULSVJNSUEBE-IUXPMGMMSA-N
XLogP3.96
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.62
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'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)-(2,6-dichlorophenyl)methylideneamino]urea
CID 110536315
1-(3-chlorophenyl)-3-[(3-nitrophenyl)methylideneamino]urea
CID 19168555
3-acetamido-N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]benzamide
CID 135842502
1-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-3-(2-methylphenyl)urea
CID 136822085
1-(3-chlorophenyl)-3-[(Z)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]urea
CID 110536127
1-(3-chlorophenyl)-3-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]urea
CID 110536999
1-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]-3-(3-methylphenyl)urea
CID 137100184
1-(3-chlorophenyl)-3-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]urea
CID 19172582
N-(3-chlorophenyl)-N'-[(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
CID 3102361
1-(3-chlorophenyl)-3-[(Z)-(4-propoxyphenyl)methylideneamino]urea
CID 110537001
N-(3-chlorophenyl)-N'-[(Z)-(4-hydroxyphenyl)methylideneamino]oxamide
CID 136884193
N-(3-chlorophenyl)-N'-[(4-hydroxyphenyl)methylideneamino]oxamide
CID 4245956

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-3-(3-chlorophenyl)urea?
The IUPAC name of 1-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-3-(3-chlorophenyl)urea (CID 136781887) is 1-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-3-(3-chlorophenyl)urea.
What is the SMILES notation for 1-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-3-(3-chlorophenyl)urea?
The canonical SMILES for 1-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-3-(3-chlorophenyl)urea is O=C(N/N=C\c1ccc(O)c(Br)c1)Nc1cccc(Cl)c1.
What is the InChIKey of 1-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-3-(3-chlorophenyl)urea?
The InChIKey is FQAULSVJNSUEBE-IUXPMGMMSA-N. The full InChI is InChI=1S/C14H11BrClN3O2/c15-12-6-9(4-5-13(12)20)8-17-19-14(21)18-11-3-1-2-10(16)7-11/h1-8,20H,(H2,18,19,21)/b17-8-.
What are the key properties of 1-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-3-(3-chlorophenyl)urea?
1-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-3-(3-chlorophenyl)urea has a molecular weight of 368.62 g/mol, XLogP of 3.96, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-3-(3-chlorophenyl)urea is sourced from PubChem (CID 136781887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).