1-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-phenylurea

C18H15N3O2 — CID 135437626

IUPAC1-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-phenylurea
SMILESO=C(N/N=C/c1c(O)ccc2ccccc12)Nc1ccccc1
InChIInChI=1S/C18H15N3O2/c22-17-11-10-13-6-4-5-9-15(13)16(17)12-19-21-18(23)20-14-7-2-1-3-8-14/h1-12,22H,(H2,20,21,23)/b19-12+
InChIKeyMZNACYGAPIIAEV-XDHOZWIPSA-N
MW305.34 g/mol
LogP3.70
Rot. Bonds3

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

1-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-phenylurea (PubChem CID 135437626) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 1-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-phenylurea.

Molecular Properties

Compound Name1-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-phenylurea
PubChem CID135437626
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name1-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-phenylurea
SMILESO=C(N/N=C/c1c(O)ccc2ccccc12)Nc1ccccc1
InChIInChI=1S/C18H15N3O2/c22-17-11-10-13-6-4-5-9-15(13)16(17)12-19-21-18(23)20-14-7-2-1-3-8-14/h1-12,22H,(H2,20,21,23)/b19-12+
InChIKeyMZNACYGAPIIAEV-XDHOZWIPSA-N
XLogP3.70
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.70
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

2-Hydroxy-1-naphthaldehyde N-phenylthiosemicarbazone
CID 135491240
N-(4-{[(E)-(2-hydroxy-1-naphthyl)methylidene]amino}phenyl)acetamide
CID 796792
(E)-1-((2-phenylhydrazono)methyl)naphthalen-2-ol
CID 135408541
2-anilino-N'-[(1E)-(2-hydroxy-1-naphthyl)methylene]acetohydrazide
CID 135699116
2-[(4-Fluorophenyl)amino]-N'-[(E)-(2-hydroxynaphthalen-1-YL)methylidene]acetohydrazide
CID 135745098
2-[(2-{2-[(2-hydroxy-1-naphthyl)methylene]hydrazino}-2-oxoethyl)thio]-N-phenylacetamide
CID 135438768
(3,4-Dihydro-2H-quinolin-1-yl)-acetic acid [1-(2-hydroxy-naphthalen-1-yl)-meth-(E)-ylidene]-hydrazide
CID 135484398
3-[(E)-(2-hydroxyphenyl)methylideneamino]-1,1-diphenylurea
CID 136074608
1-[(Phenylhydrazinylidene)methyl]naphthalen-2-ol
CID 241470
2-Hydroxybenzaldehyde N-phenylsemicarbazone
CID 135400609
1-(2,6-dimethylphenyl)-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea
CID 135475861
2-{2-[(2-hydroxy-1-naphthyl)methylene]hydrazino}-2-oxo-N-[3-(trifluoromethyl)phenyl]acetamide
CID 135625836

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-phenylurea?
The IUPAC name of 1-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-phenylurea (CID 135437626) is 1-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-phenylurea.
What is the SMILES notation for 1-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-phenylurea?
The canonical SMILES for 1-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-phenylurea is O=C(N/N=C/c1c(O)ccc2ccccc12)Nc1ccccc1.
What is the InChIKey of 1-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-phenylurea?
The InChIKey is MZNACYGAPIIAEV-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H15N3O2/c22-17-11-10-13-6-4-5-9-15(13)16(17)12-19-21-18(23)20-14-7-2-1-3-8-14/h1-12,22H,(H2,20,21,23)/b19-12+.
What are the key properties of 1-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-phenylurea?
1-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-phenylurea has a molecular weight of 305.34 g/mol, XLogP of 3.70, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-phenylurea is sourced from PubChem (CID 135437626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).