[(2-iodo-3-nitrophenyl)methylideneamino]urea

C8H7IN4O3 — CID 168533662

IUPAC[(2-iodo-3-nitrophenyl)methylideneamino]urea
SMILESNC(=O)NN=Cc1cccc([N+](=O)[O-])c1I
InChIInChI=1S/C8H7IN4O3/c9-7-5(4-11-12-8(10)14)2-1-3-6(7)13(15)16/h1-4H,(H3,10,12,14)
InChIKeyPHKCAWWOXUZPFV-UHFFFAOYSA-N
MW334.07 g/mol
LogP1.20
Rot. Bonds3

About [(2-iodo-3-nitrophenyl)methylideneamino]urea

[(2-iodo-3-nitrophenyl)methylideneamino]urea (PubChem CID 168533662) has the molecular formula C8H7IN4O3 and a molecular weight of 334.07 g/mol. Its IUPAC name is [(2-iodo-3-nitrophenyl)methylideneamino]urea.

Molecular Properties

Compound Name[(2-iodo-3-nitrophenyl)methylideneamino]urea
PubChem CID168533662
Molecular FormulaC8H7IN4O3
Molecular Weight334.07 g/mol
Exact Mass333.96
IUPAC Name[(2-iodo-3-nitrophenyl)methylideneamino]urea
SMILESNC(=O)NN=Cc1cccc([N+](=O)[O-])c1I
InChIInChI=1S/C8H7IN4O3/c9-7-5(4-11-12-8(10)14)2-1-3-6(7)13(15)16/h1-4H,(H3,10,12,14)
InChIKeyPHKCAWWOXUZPFV-UHFFFAOYSA-N
XLogP1.20
TPSA110.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.07
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2-nitrophenyl)methylideneamino](13C)urea
CID 57370038
[(E)-[2-[oxido(oxo)(15N)(15N)azaniumyl]phenyl](113C)methylideneamino]urea
CID 155903854
N-[(2-iodo-3-nitrophenyl)methylideneamino]aniline
CID 169383782
[[2-[(carbamoylhydrazinylidene)methyl]phenyl]methylideneamino]urea
CID 91157967
[[2-nitro-3-(trifluoromethyl)phenyl]methylideneamino]urea
CID 168533996
3-iodo-N-[(E)-(2-nitrophenyl)methylideneamino]benzamide
CID 5332346
[(3,4-dinitrophenyl)methylideneamino]urea
CID 168533904
[(Z)-(2-hydroxyphenyl)methylideneamino]urea
CID 135741564
2-hydroxy-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide
CID 5414501
[2-[(carbamoylhydrazinylidene)methyl]phenyl] 4-nitrobenzenesulfonate
CID 2267655
N-[(2-nitrophenyl)methylideneamino]-2-phenylacetamide
CID 796751
N-[(E)-(2-nitrophenyl)methylideneamino]-2-phenylacetamide
CID 6894812

Frequently Asked Questions

What is the IUPAC name of [(2-iodo-3-nitrophenyl)methylideneamino]urea?
The IUPAC name of [(2-iodo-3-nitrophenyl)methylideneamino]urea (CID 168533662) is [(2-iodo-3-nitrophenyl)methylideneamino]urea.
What is the SMILES notation for [(2-iodo-3-nitrophenyl)methylideneamino]urea?
The canonical SMILES for [(2-iodo-3-nitrophenyl)methylideneamino]urea is NC(=O)NN=Cc1cccc([N+](=O)[O-])c1I.
What is the InChIKey of [(2-iodo-3-nitrophenyl)methylideneamino]urea?
The InChIKey is PHKCAWWOXUZPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7IN4O3/c9-7-5(4-11-12-8(10)14)2-1-3-6(7)13(15)16/h1-4H,(H3,10,12,14).
What are the key properties of [(2-iodo-3-nitrophenyl)methylideneamino]urea?
[(2-iodo-3-nitrophenyl)methylideneamino]urea has a molecular weight of 334.07 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-iodo-3-nitrophenyl)methylideneamino]urea is sourced from PubChem (CID 168533662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).