1-(4-chlorophenyl)-3-[(4-hydroxy-3-methoxyphenyl)methylideneamino]urea

C15H14ClN3O3 — CID 682276

IUPAC1-(4-chlorophenyl)-3-[(4-hydroxy-3-methoxyphenyl)methylideneamino]urea
SMILESCOc1cc(C=NNC(=O)Nc2ccc(Cl)cc2)ccc1O
InChIInChI=1S/C15H14ClN3O3/c1-22-14-8-10(2-7-13(14)20)9-17-19-15(21)18-12-5-3-11(16)4-6-12/h2-9,20H,1H3,(H2,18,19,21)
InChIKeyJIYWMGZYHYOUMW-UHFFFAOYSA-N
MW319.75 g/mol
LogP3.21
Rot. Bonds4

About 1-(4-chlorophenyl)-3-[(4-hydroxy-3-methoxyphenyl)methylideneamino]urea

1-(4-chlorophenyl)-3-[(4-hydroxy-3-methoxyphenyl)methylideneamino]urea (PubChem CID 682276) has the molecular formula C15H14ClN3O3 and a molecular weight of 319.75 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[(4-hydroxy-3-methoxyphenyl)methylideneamino]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[(4-hydroxy-3-methoxyphenyl)methylideneamino]urea
PubChem CID682276
Molecular FormulaC15H14ClN3O3
Molecular Weight319.75 g/mol
Exact Mass319.07
IUPAC Name1-(4-chlorophenyl)-3-[(4-hydroxy-3-methoxyphenyl)methylideneamino]urea
SMILESCOc1cc(C=NNC(=O)Nc2ccc(Cl)cc2)ccc1O
InChIInChI=1S/C15H14ClN3O3/c1-22-14-8-10(2-7-13(14)20)9-17-19-15(21)18-12-5-3-11(16)4-6-12/h2-9,20H,1H3,(H2,18,19,21)
InChIKeyJIYWMGZYHYOUMW-UHFFFAOYSA-N
XLogP3.21
TPSA82.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.75
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-bis[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]urea
CID 135458974
1-(4-chlorophenyl)-3-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]urea
CID 110535990
1-(4-chlorophenyl)-3-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]urea
CID 110535001
1-[(Z)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-3-(4-chlorophenyl)urea
CID 110531661
N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-N'-[(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
CID 5049729
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135491260
N-(3-chlorophenyl)-N'-[(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
CID 3102361
4-chloro-N-[2-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 5061249
N-(2,4-dichlorophenyl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]butanediamide
CID 135560328
2-[(4-chlorophenyl)methylsulfanyl]-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 1153891
2-chloro-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136749460
N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-phenylpropanediamide
CID 135613940

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[(4-hydroxy-3-methoxyphenyl)methylideneamino]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[(4-hydroxy-3-methoxyphenyl)methylideneamino]urea (CID 682276) is 1-(4-chlorophenyl)-3-[(4-hydroxy-3-methoxyphenyl)methylideneamino]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[(4-hydroxy-3-methoxyphenyl)methylideneamino]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[(4-hydroxy-3-methoxyphenyl)methylideneamino]urea is COc1cc(C=NNC(=O)Nc2ccc(Cl)cc2)ccc1O.
What is the InChIKey of 1-(4-chlorophenyl)-3-[(4-hydroxy-3-methoxyphenyl)methylideneamino]urea?
The InChIKey is JIYWMGZYHYOUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O3/c1-22-14-8-10(2-7-13(14)20)9-17-19-15(21)18-12-5-3-11(16)4-6-12/h2-9,20H,1H3,(H2,18,19,21).
What are the key properties of 1-(4-chlorophenyl)-3-[(4-hydroxy-3-methoxyphenyl)methylideneamino]urea?
1-(4-chlorophenyl)-3-[(4-hydroxy-3-methoxyphenyl)methylideneamino]urea has a molecular weight of 319.75 g/mol, XLogP of 3.21, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[(4-hydroxy-3-methoxyphenyl)methylideneamino]urea is sourced from PubChem (CID 682276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).