[[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]urea

C19H16BrN3O2 — CID 1370223

IUPAC[[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]urea
SMILESNC(=O)NN=Cc1cc(Br)ccc1OCc1cccc2ccccc12
InChIInChI=1S/C19H16BrN3O2/c20-16-8-9-18(15(10-16)11-22-23-19(21)24)25-12-14-6-3-5-13-4-1-2-7-17(13)14/h1-11H,12H2,(H3,21,23,24)
InChIKeyWLRYTKSEJUFBEF-UHFFFAOYSA-N
MW398.26 g/mol
LogP4.18
Rot. Bonds5

About [[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]urea

[[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]urea (PubChem CID 1370223) has the molecular formula C19H16BrN3O2 and a molecular weight of 398.26 g/mol. Its IUPAC name is [[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]urea.

Molecular Properties

Compound Name[[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]urea
PubChem CID1370223
Molecular FormulaC19H16BrN3O2
Molecular Weight398.26 g/mol
Exact Mass397.04
IUPAC Name[[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]urea
SMILESNC(=O)NN=Cc1cc(Br)ccc1OCc1cccc2ccccc12
InChIInChI=1S/C19H16BrN3O2/c20-16-8-9-18(15(10-16)11-22-23-19(21)24)25-12-14-6-3-5-13-4-1-2-7-17(13)14/h1-11H,12H2,(H3,21,23,24)
InChIKeyWLRYTKSEJUFBEF-UHFFFAOYSA-N
XLogP4.18
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.26
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(Z)-[2-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]urea
CID 126085472
N-[[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-chloropyridine-3-carboxamide
CID 3295485
[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]urea
CID 168533091
2-[4-bromo-2-[(E)-(carbamoylhydrazinylidene)methyl]phenoxy]acetic acid
CID 19617744
N-[(5-bromo-2-octoxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 3630225
[[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]thiourea
CID 5082647
[[5-bromo-2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methylideneamino]urea
CID 168533054
[(5-bromo-2-butoxyphenyl)methylideneamino]urea
CID 57360203
[(5-bromo-2-hexoxyphenyl)methylideneamino]urea
CID 168531991
[(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]urea
CID 94844311
2-(4-bromophenyl)-N-[(E)-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylideneamino]acetamide
CID 19061642
N-[(E)-[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 126323155

Frequently Asked Questions

What is the IUPAC name of [[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]urea?
The IUPAC name of [[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]urea (CID 1370223) is [[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]urea.
What is the SMILES notation for [[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]urea?
The canonical SMILES for [[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]urea is NC(=O)NN=Cc1cc(Br)ccc1OCc1cccc2ccccc12.
What is the InChIKey of [[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]urea?
The InChIKey is WLRYTKSEJUFBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O2/c20-16-8-9-18(15(10-16)11-22-23-19(21)24)25-12-14-6-3-5-13-4-1-2-7-17(13)14/h1-11H,12H2,(H3,21,23,24).
What are the key properties of [[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]urea?
[[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]urea has a molecular weight of 398.26 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]urea is sourced from PubChem (CID 1370223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).