1-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]-3-(3-methylphenyl)urea

C15H14IN3O2 — CID 137100184

IUPAC1-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)N/N=C/c2ccc(O)c(I)c2)c1
InChIInChI=1S/C15H14IN3O2/c1-10-3-2-4-12(7-10)18-15(21)19-17-9-11-5-6-14(20)13(16)8-11/h2-9,20H,1H3,(H2,18,19,21)/b17-9+
InChIKeyHXYVBFWTAWDMQA-RQZCQDPDSA-N
MW395.20 g/mol
LogP3.46
Rot. Bonds3

About 1-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]-3-(3-methylphenyl)urea

1-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]-3-(3-methylphenyl)urea (PubChem CID 137100184) has the molecular formula C15H14IN3O2 and a molecular weight of 395.20 g/mol. Its IUPAC name is 1-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]-3-(3-methylphenyl)urea
PubChem CID137100184
Molecular FormulaC15H14IN3O2
Molecular Weight395.20 g/mol
Exact Mass395.01
IUPAC Name1-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)N/N=C/c2ccc(O)c(I)c2)c1
InChIInChI=1S/C15H14IN3O2/c1-10-3-2-4-12(7-10)18-15(21)19-17-9-11-5-6-14(20)13(16)8-11/h2-9,20H,1H3,(H2,18,19,21)/b17-9+
InChIKeyHXYVBFWTAWDMQA-RQZCQDPDSA-N
XLogP3.46
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.20
LogP ≤ 53.46
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': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-3-(3-chlorophenyl)urea
CID 136781887
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide
CID 135420053
3-hydroxy-N-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]benzamide
CID 137080354
N'-(benzylideneamino)-N-(3-methylphenyl)oxamide
CID 4143039
2-iodo-4-[(Z)-(phenylhydrazinylidene)methyl]phenol
CID 137080181
tert-butyl N-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]carbamate
CID 135648465
1-(2-methylphenyl)-3-[(Z)-(3-methylphenyl)methylideneamino]urea
CID 5420606
N-[3-[[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-3-methylbenzamide
CID 136794081
3-(dimethylamino)-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]benzamide
CID 137050197
2-chloro-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]benzamide
CID 135642762
1-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-3-(2-methylphenyl)urea
CID 136822085
2-(2,3-dimethylphenoxy)-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]acetamide
CID 135643998

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]-3-(3-methylphenyl)urea?
The IUPAC name of 1-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]-3-(3-methylphenyl)urea (CID 137100184) is 1-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]-3-(3-methylphenyl)urea?
The canonical SMILES for 1-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]-3-(3-methylphenyl)urea is Cc1cccc(NC(=O)N/N=C/c2ccc(O)c(I)c2)c1.
What is the InChIKey of 1-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]-3-(3-methylphenyl)urea?
The InChIKey is HXYVBFWTAWDMQA-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H14IN3O2/c1-10-3-2-4-12(7-10)18-15(21)19-17-9-11-5-6-14(20)13(16)8-11/h2-9,20H,1H3,(H2,18,19,21)/b17-9+.
What are the key properties of 1-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]-3-(3-methylphenyl)urea?
1-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]-3-(3-methylphenyl)urea has a molecular weight of 395.20 g/mol, XLogP of 3.46, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]-3-(3-methylphenyl)urea is sourced from PubChem (CID 137100184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).