N-(3-chloro-4-methylphenyl)-1-[2-(2,4-dinitrophenoxy)naphthalen-1-yl]methanimine

C24H16ClN3O5 — CID 126225989

IUPACN-(3-chloro-4-methylphenyl)-1-[2-(2,4-dinitrophenoxy)naphthalen-1-yl]methanimine
SMILESCc1ccc(/N=C/c2c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])ccc3ccccc23)cc1Cl
InChIInChI=1S/C24H16ClN3O5/c1-15-6-8-17(12-21(15)25)26-14-20-19-5-3-2-4-16(19)7-10-23(20)33-24-11-9-18(27(29)30)13-22(24)28(31)32/h2-14H,1H3/b26-14+
InChIKeyUUJOWYVHEVIUFW-VULFUBBASA-N
MW461.86 g/mol
LogP7.16
Rot. Bonds6

About N-(3-chloro-4-methylphenyl)-1-[2-(2,4-dinitrophenoxy)naphthalen-1-yl]methanimine

N-(3-chloro-4-methylphenyl)-1-[2-(2,4-dinitrophenoxy)naphthalen-1-yl]methanimine (PubChem CID 126225989) has the molecular formula C24H16ClN3O5 and a molecular weight of 461.86 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-1-[2-(2,4-dinitrophenoxy)naphthalen-1-yl]methanimine.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-1-[2-(2,4-dinitrophenoxy)naphthalen-1-yl]methanimine
PubChem CID126225989
Molecular FormulaC24H16ClN3O5
Molecular Weight461.86 g/mol
Exact Mass461.08
IUPAC NameN-(3-chloro-4-methylphenyl)-1-[2-(2,4-dinitrophenoxy)naphthalen-1-yl]methanimine
SMILESCc1ccc(/N=C/c2c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])ccc3ccccc23)cc1Cl
InChIInChI=1S/C24H16ClN3O5/c1-15-6-8-17(12-21(15)25)26-14-20-19-5-3-2-4-16(19)7-10-23(20)33-24-11-9-18(27(29)30)13-22(24)28(31)32/h2-14H,1H3/b26-14+
InChIKeyUUJOWYVHEVIUFW-VULFUBBASA-N
XLogP7.16
TPSA107.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.86
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-chloro-4-methylphenyl)-1-[4-(2,4-dinitrophenoxy)phenyl]methanimine
CID 126220781
N-(3,4-dimethylphenyl)-1-[2-[(4-nitrophenyl)methoxy]naphthalen-1-yl]methanimine
CID 126217476
1-[3-chloro-4-(2,4-dinitrophenoxy)phenyl]-N-(3,4-dimethylphenyl)methanimine
CID 126218592
N-(3-chloro-4-methylphenyl)-1-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methanimine
CID 126210028
N-(3-chloro-4-methylphenyl)-1-[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methanimine
CID 126223343
N-(3-chloro-4-methylphenyl)-1-(4-nitrophenyl)methanimine
CID 690795
N-(2,4-dimethylphenyl)-1-[2-[2-nitro-4-(trifluoromethyl)phenoxy]naphthalen-1-yl]methanimine
CID 126214973
1-anthracen-9-yl-N-(2-methyl-5-nitrophenyl)methanimine
CID 932242
1-[3-chloro-4-(2,4-dinitrophenoxy)-5-methoxyphenyl]-N-(2-methylphenyl)methanimine
CID 126218866
1-[5-chloro-2-(2,4-dinitrophenoxy)phenyl]-N-(4-methylphenyl)methanimine
CID 126218432
1-[2-(2,4-dinitrophenoxy)phenyl]-N-(4-ethoxyphenyl)methanimine
CID 126215266
1-[3-bromo-4-(2,4-dinitrophenoxy)phenyl]-N-(3,4-dimethylphenyl)methanimine
CID 126217525

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-1-[2-(2,4-dinitrophenoxy)naphthalen-1-yl]methanimine?
The IUPAC name of N-(3-chloro-4-methylphenyl)-1-[2-(2,4-dinitrophenoxy)naphthalen-1-yl]methanimine (CID 126225989) is N-(3-chloro-4-methylphenyl)-1-[2-(2,4-dinitrophenoxy)naphthalen-1-yl]methanimine.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-1-[2-(2,4-dinitrophenoxy)naphthalen-1-yl]methanimine?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-1-[2-(2,4-dinitrophenoxy)naphthalen-1-yl]methanimine is Cc1ccc(/N=C/c2c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])ccc3ccccc23)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-1-[2-(2,4-dinitrophenoxy)naphthalen-1-yl]methanimine?
The InChIKey is UUJOWYVHEVIUFW-VULFUBBASA-N. The full InChI is InChI=1S/C24H16ClN3O5/c1-15-6-8-17(12-21(15)25)26-14-20-19-5-3-2-4-16(19)7-10-23(20)33-24-11-9-18(27(29)30)13-22(24)28(31)32/h2-14H,1H3/b26-14+.
What are the key properties of N-(3-chloro-4-methylphenyl)-1-[2-(2,4-dinitrophenoxy)naphthalen-1-yl]methanimine?
N-(3-chloro-4-methylphenyl)-1-[2-(2,4-dinitrophenoxy)naphthalen-1-yl]methanimine has a molecular weight of 461.86 g/mol, XLogP of 7.16, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-1-[2-(2,4-dinitrophenoxy)naphthalen-1-yl]methanimine is sourced from PubChem (CID 126225989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).