N-(3-iodo-4-methylphenyl)-1-(2-nitrophenyl)methanimine

C14H11IN2O2 — CID 1378215

IUPACN-(3-iodo-4-methylphenyl)-1-(2-nitrophenyl)methanimine
SMILESCc1ccc(/N=C/c2ccccc2[N+](=O)[O-])cc1I
InChIInChI=1S/C14H11IN2O2/c1-10-6-7-12(8-13(10)15)16-9-11-4-2-3-5-14(11)17(18)19/h2-9H,1H3/b16-9+
InChIKeyXJZPJPQHOKIVKQ-CXUHLZMHSA-N
MW366.16 g/mol
LogP4.26
Rot. Bonds3

About N-(3-iodo-4-methylphenyl)-1-(2-nitrophenyl)methanimine

N-(3-iodo-4-methylphenyl)-1-(2-nitrophenyl)methanimine (PubChem CID 1378215) has the molecular formula C14H11IN2O2 and a molecular weight of 366.16 g/mol. Its IUPAC name is N-(3-iodo-4-methylphenyl)-1-(2-nitrophenyl)methanimine.

Molecular Properties

Compound NameN-(3-iodo-4-methylphenyl)-1-(2-nitrophenyl)methanimine
PubChem CID1378215
Molecular FormulaC14H11IN2O2
Molecular Weight366.16 g/mol
Exact Mass365.99
IUPAC NameN-(3-iodo-4-methylphenyl)-1-(2-nitrophenyl)methanimine
SMILESCc1ccc(/N=C/c2ccccc2[N+](=O)[O-])cc1I
InChIInChI=1S/C14H11IN2O2/c1-10-6-7-12(8-13(10)15)16-9-11-4-2-3-5-14(11)17(18)19/h2-9H,1H3/b16-9+
InChIKeyXJZPJPQHOKIVKQ-CXUHLZMHSA-N
XLogP4.26
TPSA55.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.16
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

N-(3,5-dimethylphenyl)-1-(2-nitrophenyl)methanimine
CID 794546
N-(3-iodo-4-methylphenyl)-1-(5-nitrothiophen-2-yl)methanimine
CID 1040982
1-(2-nitrophenyl)-N-[4-[6-[4-[(2-nitrophenyl)methylideneamino]phenyl]pyrimidin-4-yl]phenyl]methanimine
CID 45146285
N-(4-fluorophenyl)-1-(2-nitrophenyl)methanimine
CID 794265
N-(4-methoxyphenyl)-1-(2-nitrophenyl)methanimine
CID 520164
N-(3-methoxyphenyl)-1-(2-nitrophenyl)methanimine
CID 4191287
1-(2-nitrophenyl)-N-[4-[[4-[(2-nitrophenyl)methylideneamino]phenyl]disulfanyl]phenyl]methanimine
CID 87673126
1-(2-nitrophenyl)-N-(2-phenyl-3H-benzimidazol-5-yl)methanimine
CID 4067599
N-methyl-N-[(2-nitrophenyl)methylideneamino]methanamine
CID 78408891
5'-[(2-nitrophenyl)methylideneamino]spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one
CID 135563988
2-(5-methyl-1,3-benzoxazol-2-yl)-5-[(2-nitrophenyl)methylideneamino]phenol
CID 4094828
2-methyl-N-[(Z)-(2-nitrophenyl)methylideneamino]aniline
CID 9014623

Frequently Asked Questions

What is the IUPAC name of N-(3-iodo-4-methylphenyl)-1-(2-nitrophenyl)methanimine?
The IUPAC name of N-(3-iodo-4-methylphenyl)-1-(2-nitrophenyl)methanimine (CID 1378215) is N-(3-iodo-4-methylphenyl)-1-(2-nitrophenyl)methanimine.
What is the SMILES notation for N-(3-iodo-4-methylphenyl)-1-(2-nitrophenyl)methanimine?
The canonical SMILES for N-(3-iodo-4-methylphenyl)-1-(2-nitrophenyl)methanimine is Cc1ccc(/N=C/c2ccccc2[N+](=O)[O-])cc1I.
What is the InChIKey of N-(3-iodo-4-methylphenyl)-1-(2-nitrophenyl)methanimine?
The InChIKey is XJZPJPQHOKIVKQ-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H11IN2O2/c1-10-6-7-12(8-13(10)15)16-9-11-4-2-3-5-14(11)17(18)19/h2-9H,1H3/b16-9+.
What are the key properties of N-(3-iodo-4-methylphenyl)-1-(2-nitrophenyl)methanimine?
N-(3-iodo-4-methylphenyl)-1-(2-nitrophenyl)methanimine has a molecular weight of 366.16 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodo-4-methylphenyl)-1-(2-nitrophenyl)methanimine is sourced from PubChem (CID 1378215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).