[(Z)-(5-bromonaphthalen-2-yl)methylideneamino]urea

C12H10BrN3O — CID 6298566

IUPAC[(Z)-(5-bromonaphthalen-2-yl)methylideneamino]urea
SMILESNC(=O)N/N=C\c1ccc2c(Br)cccc2c1
InChIInChI=1S/C12H10BrN3O/c13-11-3-1-2-9-6-8(4-5-10(9)11)7-15-16-12(14)17/h1-7H,(H3,14,16,17)/b15-7-
InChIKeyQETGWFMJOYRUNI-CHHVJCJISA-N
MW292.14 g/mol
LogP2.60
Rot. Bonds2

About [(Z)-(5-bromonaphthalen-2-yl)methylideneamino]urea

[(Z)-(5-bromonaphthalen-2-yl)methylideneamino]urea (PubChem CID 6298566) has the molecular formula C12H10BrN3O and a molecular weight of 292.14 g/mol. Its IUPAC name is [(Z)-(5-bromonaphthalen-2-yl)methylideneamino]urea.

Molecular Properties

Compound Name[(Z)-(5-bromonaphthalen-2-yl)methylideneamino]urea
PubChem CID6298566
Molecular FormulaC12H10BrN3O
Molecular Weight292.14 g/mol
Exact Mass291.00
IUPAC Name[(Z)-(5-bromonaphthalen-2-yl)methylideneamino]urea
SMILESNC(=O)N/N=C\c1ccc2c(Br)cccc2c1
InChIInChI=1S/C12H10BrN3O/c13-11-3-1-2-9-6-8(4-5-10(9)11)7-15-16-12(14)17/h1-7H,(H3,14,16,17)/b15-7-
InChIKeyQETGWFMJOYRUNI-CHHVJCJISA-N
XLogP2.60
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.14
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

[(6-hydroxynaphthalen-2-yl)methylideneamino]urea
CID 168531736
[(4-bromonaphthalen-2-yl)methylideneamino]thiourea
CID 168535998
5-bromonaphthalene-2-carbaldehyde
CID 2750349
[(E)-benzylideneamino]urea
CID 6861419
[[3-(cyanomethyl)phenyl]methylideneamino]urea
CID 168534094
[(Z)-(3-bromo-4-prop-2-enoxyphenyl)methylideneamino]urea
CID 71670057
[(Z)-(3,4-dimethoxyphenyl)methylideneamino]urea
CID 5354158
[(Z)-(4-chlorophenyl)methylideneamino]urea
CID 6079769
[[4-[(2-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea
CID 168533097
N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]naphthalene-1-carboxamide
CID 135426068
[(E)-(4-fluoro-3-methylphenyl)methylideneamino]urea
CID 63318884
[(3-bromo-2-cyanophenyl)methylideneamino]urea
CID 168533408

Frequently Asked Questions

What is the IUPAC name of [(Z)-(5-bromonaphthalen-2-yl)methylideneamino]urea?
The IUPAC name of [(Z)-(5-bromonaphthalen-2-yl)methylideneamino]urea (CID 6298566) is [(Z)-(5-bromonaphthalen-2-yl)methylideneamino]urea.
What is the SMILES notation for [(Z)-(5-bromonaphthalen-2-yl)methylideneamino]urea?
The canonical SMILES for [(Z)-(5-bromonaphthalen-2-yl)methylideneamino]urea is NC(=O)N/N=C\c1ccc2c(Br)cccc2c1.
What is the InChIKey of [(Z)-(5-bromonaphthalen-2-yl)methylideneamino]urea?
The InChIKey is QETGWFMJOYRUNI-CHHVJCJISA-N. The full InChI is InChI=1S/C12H10BrN3O/c13-11-3-1-2-9-6-8(4-5-10(9)11)7-15-16-12(14)17/h1-7H,(H3,14,16,17)/b15-7-.
What are the key properties of [(Z)-(5-bromonaphthalen-2-yl)methylideneamino]urea?
[(Z)-(5-bromonaphthalen-2-yl)methylideneamino]urea has a molecular weight of 292.14 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(5-bromonaphthalen-2-yl)methylideneamino]urea is sourced from PubChem (CID 6298566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).