1-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-phenylurea

C14H13N3O3 — CID 135490420

IUPAC1-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-phenylurea
SMILESO=C(N/N=C/c1ccc(O)cc1O)Nc1ccccc1
InChIInChI=1S/C14H13N3O3/c18-12-7-6-10(13(19)8-12)9-15-17-14(20)16-11-4-2-1-3-5-11/h1-9,18-19H,(H2,16,17,20)/b15-9+
InChIKeyLFPCKOWESVQEBP-OQLLNIDSSA-N
MW271.28 g/mol
LogP2.25
Rot. Bonds3

About 1-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-phenylurea

1-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-phenylurea (PubChem CID 135490420) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 1-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-phenylurea.

Molecular Properties

Compound Name1-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-phenylurea
PubChem CID135490420
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name1-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-phenylurea
SMILESO=C(N/N=C/c1ccc(O)cc1O)Nc1ccccc1
InChIInChI=1S/C14H13N3O3/c18-12-7-6-10(13(19)8-12)9-15-17-14(20)16-11-4-2-1-3-5-11/h1-9,18-19H,(H2,16,17,20)/b15-9+
InChIKeyLFPCKOWESVQEBP-OQLLNIDSSA-N
XLogP2.25
TPSA93.95 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 52.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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

N,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]oxamide
CID 135576680
1-(4-bromophenyl)-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea
CID 135436225
N,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]propanediamide
CID 135648812
N'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)oxamide
CID 135684849
4-acetamido-N-[(2,4-dihydroxyphenyl)methylideneamino]benzamide
CID 689755
1-[(Z)-(2-bromophenyl)methylideneamino]-3-phenylurea
CID 5415699
(2R)-2-anilino-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]butanamide
CID 135764356
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N'-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]butanediamide
CID 135458919
N-[2-[(2Z)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 136732643
N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 135644980
1-[(Z)-(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-3-phenylurea
CID 136690347
trans-(1R,2R)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 135688132

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-phenylurea?
The IUPAC name of 1-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-phenylurea (CID 135490420) is 1-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-phenylurea.
What is the SMILES notation for 1-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-phenylurea?
The canonical SMILES for 1-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-phenylurea is O=C(N/N=C/c1ccc(O)cc1O)Nc1ccccc1.
What is the InChIKey of 1-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-phenylurea?
The InChIKey is LFPCKOWESVQEBP-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H13N3O3/c18-12-7-6-10(13(19)8-12)9-15-17-14(20)16-11-4-2-1-3-5-11/h1-9,18-19H,(H2,16,17,20)/b15-9+.
What are the key properties of 1-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-phenylurea?
1-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-phenylurea has a molecular weight of 271.28 g/mol, XLogP of 2.25, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-phenylurea is sourced from PubChem (CID 135490420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).