1-[(Z)-(2-bromophenyl)methylideneamino]-3-phenylurea

C14H12BrN3O — CID 5415699

IUPAC1-[(Z)-(2-bromophenyl)methylideneamino]-3-phenylurea
SMILESO=C(N/N=C\c1ccccc1Br)Nc1ccccc1
InChIInChI=1S/C14H12BrN3O/c15-13-9-5-4-6-11(13)10-16-18-14(19)17-12-7-2-1-3-8-12/h1-10H,(H2,17,18,19)/b16-10-
InChIKeyOPTLOMNGKVJNGN-YBEGLDIGSA-N
MW318.17 g/mol
LogP3.60
Rot. Bonds3

About 1-[(Z)-(2-bromophenyl)methylideneamino]-3-phenylurea

1-[(Z)-(2-bromophenyl)methylideneamino]-3-phenylurea (PubChem CID 5415699) has the molecular formula C14H12BrN3O and a molecular weight of 318.17 g/mol. Its IUPAC name is 1-[(Z)-(2-bromophenyl)methylideneamino]-3-phenylurea.

Molecular Properties

Compound Name1-[(Z)-(2-bromophenyl)methylideneamino]-3-phenylurea
PubChem CID5415699
Molecular FormulaC14H12BrN3O
Molecular Weight318.17 g/mol
Exact Mass317.02
IUPAC Name1-[(Z)-(2-bromophenyl)methylideneamino]-3-phenylurea
SMILESO=C(N/N=C\c1ccccc1Br)Nc1ccccc1
InChIInChI=1S/C14H12BrN3O/c15-13-9-5-4-6-11(13)10-16-18-14(19)17-12-7-2-1-3-8-12/h1-10H,(H2,17,18,19)/b16-10-
InChIKeyOPTLOMNGKVJNGN-YBEGLDIGSA-N
XLogP3.60
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 53.60
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

1-(4-bromophenyl)-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea
CID 135436225
N-(4-bromophenyl)-N'-[(2-bromophenyl)methylideneamino]oxamide
CID 3506666
N'-[(E)-(2-bromophenyl)methylideneamino]-N-(4-methylphenyl)oxamide
CID 45054503
1-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-phenylurea
CID 135490420
1-[(E)-(2-bromophenyl)methylideneamino]-3-(4-chlorophenyl)thiourea
CID 6902916
1-[(E)-(2-hydroxy-3-nitrophenyl)methylideneamino]-3-phenylurea
CID 137076602
N-[(E)-(2-bromophenyl)methylideneamino]-N'-hydroxyhexanediamide
CID 44506449
2-[(Z)-(phenylcarbamothioylhydrazinylidene)methyl]benzoic acid
CID 6311480
N'-[(2-bromophenyl)methylideneamino]-N-(3,4-dichlorophenyl)oxamide
CID 4147303
N-[(Z)-(2-bromophenyl)methylideneamino]-2-phenoxyacetamide
CID 5414432
1-[(E)-(2-bromophenyl)methylideneamino]-3-(3-methylphenyl)thiourea
CID 45054455
1-[(2,4-dimethoxyphenyl)methylideneamino]-3-phenylurea
CID 792835

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-(2-bromophenyl)methylideneamino]-3-phenylurea?
The IUPAC name of 1-[(Z)-(2-bromophenyl)methylideneamino]-3-phenylurea (CID 5415699) is 1-[(Z)-(2-bromophenyl)methylideneamino]-3-phenylurea.
What is the SMILES notation for 1-[(Z)-(2-bromophenyl)methylideneamino]-3-phenylurea?
The canonical SMILES for 1-[(Z)-(2-bromophenyl)methylideneamino]-3-phenylurea is O=C(N/N=C\c1ccccc1Br)Nc1ccccc1.
What is the InChIKey of 1-[(Z)-(2-bromophenyl)methylideneamino]-3-phenylurea?
The InChIKey is OPTLOMNGKVJNGN-YBEGLDIGSA-N. The full InChI is InChI=1S/C14H12BrN3O/c15-13-9-5-4-6-11(13)10-16-18-14(19)17-12-7-2-1-3-8-12/h1-10H,(H2,17,18,19)/b16-10-.
What are the key properties of 1-[(Z)-(2-bromophenyl)methylideneamino]-3-phenylurea?
1-[(Z)-(2-bromophenyl)methylideneamino]-3-phenylurea has a molecular weight of 318.17 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-(2-bromophenyl)methylideneamino]-3-phenylurea is sourced from PubChem (CID 5415699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).