[(4-bromo-2-chlorophenyl)methylideneamino]urea

C8H7BrClN3O — CID 137318192

IUPAC[(4-bromo-2-chlorophenyl)methylideneamino]urea
SMILESNC(=O)NN=Cc1ccc(Br)cc1Cl
InChIInChI=1S/C8H7BrClN3O/c9-6-2-1-5(7(10)3-6)4-12-13-8(11)14/h1-4H,(H3,11,13,14)
InChIKeyLSASBPYIXDCHIV-UHFFFAOYSA-N
MW276.52 g/mol
LogP2.10
Rot. Bonds2

About [(4-bromo-2-chlorophenyl)methylideneamino]urea

[(4-bromo-2-chlorophenyl)methylideneamino]urea (PubChem CID 137318192) has the molecular formula C8H7BrClN3O and a molecular weight of 276.52 g/mol. Its IUPAC name is [(4-bromo-2-chlorophenyl)methylideneamino]urea.

Molecular Properties

Compound Name[(4-bromo-2-chlorophenyl)methylideneamino]urea
PubChem CID137318192
Molecular FormulaC8H7BrClN3O
Molecular Weight276.52 g/mol
Exact Mass274.95
IUPAC Name[(4-bromo-2-chlorophenyl)methylideneamino]urea
SMILESNC(=O)NN=Cc1ccc(Br)cc1Cl
InChIInChI=1S/C8H7BrClN3O/c9-6-2-1-5(7(10)3-6)4-12-13-8(11)14/h1-4H,(H3,11,13,14)
InChIKeyLSASBPYIXDCHIV-UHFFFAOYSA-N
XLogP2.10
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.52
LogP ≤ 52.10
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

[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]urea
CID 135521536
[(3-bromo-4-chloro-2-fluorophenyl)methylideneamino]urea
CID 168533678
[[2-chloro-4-(dimethylamino)phenyl]methylideneamino]urea
CID 168533720
[(2,4-dichloro-5-methylphenyl)methylideneamino]urea
CID 168532506
[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]urea
CID 168533091
[(E)-(4-chloro-2-methylphenyl)methylideneamino]urea
CID 103846300
5-bromo-2-chloro-N-[(2,4-dihydroxyphenyl)methylideneamino]benzamide
CID 135455727
2-[4-bromo-2-[(E)-(carbamoylhydrazinylidene)methyl]phenoxy]acetic acid
CID 19617744
[[2-[(carbamoylhydrazinylidene)methyl]phenyl]methylideneamino]urea
CID 91157967
[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]urea
CID 793144
[(5-bromo-2-butoxyphenyl)methylideneamino]urea
CID 57360203
[(Z)-(2-hydroxyphenyl)methylideneamino]urea
CID 135741564

Frequently Asked Questions

What is the IUPAC name of [(4-bromo-2-chlorophenyl)methylideneamino]urea?
The IUPAC name of [(4-bromo-2-chlorophenyl)methylideneamino]urea (CID 137318192) is [(4-bromo-2-chlorophenyl)methylideneamino]urea.
What is the SMILES notation for [(4-bromo-2-chlorophenyl)methylideneamino]urea?
The canonical SMILES for [(4-bromo-2-chlorophenyl)methylideneamino]urea is NC(=O)NN=Cc1ccc(Br)cc1Cl.
What is the InChIKey of [(4-bromo-2-chlorophenyl)methylideneamino]urea?
The InChIKey is LSASBPYIXDCHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClN3O/c9-6-2-1-5(7(10)3-6)4-12-13-8(11)14/h1-4H,(H3,11,13,14).
What are the key properties of [(4-bromo-2-chlorophenyl)methylideneamino]urea?
[(4-bromo-2-chlorophenyl)methylideneamino]urea has a molecular weight of 276.52 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-bromo-2-chlorophenyl)methylideneamino]urea is sourced from PubChem (CID 137318192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).