1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylurea

C14H13N3O2 — CID 135400609

IUPAC1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylurea
SMILESO=C(N/N=C/c1ccccc1O)Nc1ccccc1
InChIInChI=1S/C14H13N3O2/c18-13-9-5-4-6-11(13)10-15-17-14(19)16-12-7-2-1-3-8-12/h1-10,18H,(H2,16,17,19)/b15-10+
InChIKeyKJQAVFPMYZFAEU-XNTDXEJSSA-N
MW255.28 g/mol
LogP2.55
Rot. Bonds3

About 1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylurea

1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylurea (PubChem CID 135400609) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylurea.

Molecular Properties

Compound Name1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylurea
PubChem CID135400609
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylurea
SMILESO=C(N/N=C/c1ccccc1O)Nc1ccccc1
InChIInChI=1S/C14H13N3O2/c18-13-9-5-4-6-11(13)10-15-17-14(19)16-12-7-2-1-3-8-12/h1-10,18H,(H2,16,17,19)/b15-10+
InChIKeyKJQAVFPMYZFAEU-XNTDXEJSSA-N
XLogP2.55
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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

Salicylaldehyde phenylhydrazone
CID 135401296
Hydrazinecarbothioamide, 2-((2-hydroxyphenyl)methylene)-N-phenyl-
CID 135434847
1-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-(2-methylphenyl)thiourea
CID 135676221
4-[(2E)-2-(2-hydroxybenzylidene)hydrazino]-N-(4-methylphenyl)-4-oxobutanamide
CID 135683576
1-(4-Fluorophenyl)-3-[(2-hydroxyphenyl)methylideneamino]thiourea
CID 838380
2-hydroxy-1-naphthaldehyde N-phenylsemicarbazone
CID 135437626
4-Hydroxybenzaldehyde N-phenylthiosemicarbazone
CID 135560361
2-[(2E)-2-(2-hydroxybenzylidene)hydrazinyl]-N-(2-methylphenyl)-2-oxoacetamide
CID 135419636
2-Hydroxybenzaldehyde N-(3-chlorophenyl)thiosemicarbazone
CID 135473135
1-[(2,4-Dihydroxyphenyl)methylideneamino]-3-(4-fluorophenyl)thiourea
CID 3372994
1-[[(E)-(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]-3-phenylurea
CID 135421604
1-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-(4-methylsulfonylphenyl)urea
CID 168269810

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylurea?
The IUPAC name of 1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylurea (CID 135400609) is 1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylurea.
What is the SMILES notation for 1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylurea?
The canonical SMILES for 1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylurea is O=C(N/N=C/c1ccccc1O)Nc1ccccc1.
What is the InChIKey of 1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylurea?
The InChIKey is KJQAVFPMYZFAEU-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H13N3O2/c18-13-9-5-4-6-11(13)10-15-17-14(19)16-12-7-2-1-3-8-12/h1-10,18H,(H2,16,17,19)/b15-10+.
What are the key properties of 1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylurea?
1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylurea has a molecular weight of 255.28 g/mol, XLogP of 2.55, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylurea is sourced from PubChem (CID 135400609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).