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

C14H10Cl2N2O2 — CID 693294

IUPACN-(3-chloro-2-methylphenyl)-1-(4-chloro-3-nitrophenyl)methanimine
SMILESCc1c(Cl)cccc1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C14H10Cl2N2O2/c1-9-11(15)3-2-4-13(9)17-8-10-5-6-12(16)14(7-10)18(19)20/h2-8H,1H3/b17-8+
InChIKeyHJCNRJOMAXOBTG-CAOOACKPSA-N
MW309.15 g/mol
LogP4.96
Rot. Bonds3

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

N-(3-chloro-2-methylphenyl)-1-(4-chloro-3-nitrophenyl)methanimine (PubChem CID 693294) has the molecular formula C14H10Cl2N2O2 and a molecular weight of 309.15 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-1-(4-chloro-3-nitrophenyl)methanimine.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-1-(4-chloro-3-nitrophenyl)methanimine
PubChem CID693294
Molecular FormulaC14H10Cl2N2O2
Molecular Weight309.15 g/mol
Exact Mass308.01
IUPAC NameN-(3-chloro-2-methylphenyl)-1-(4-chloro-3-nitrophenyl)methanimine
SMILESCc1c(Cl)cccc1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C14H10Cl2N2O2/c1-9-11(15)3-2-4-13(9)17-8-10-5-6-12(16)14(7-10)18(19)20/h2-8H,1H3/b17-8+
InChIKeyHJCNRJOMAXOBTG-CAOOACKPSA-N
XLogP4.96
TPSA55.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.15
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

1-(3-chlorophenyl)-N-(2-methyl-3-nitrophenyl)methanimine
CID 780602
1-(4-chloro-3-nitrophenyl)-N-(2,4,6-trimethylphenyl)methanimine
CID 913562
N-(3-bromophenyl)-1-(4-chloro-3-nitrophenyl)methanimine
CID 126077274
1-(4-chloro-3-nitrophenyl)-N-(3,4-dichlorophenyl)methanimine
CID 757863
1-(4-chloro-3-nitrophenyl)-N-(4-phenylphenyl)methanimine
CID 21240098
N-[5-(benzenesulfonyl)-2-methoxyphenyl]-1-(4-chloro-3-nitrophenyl)methanimine
CID 23828638
N-(3-chloro-2-methylphenyl)-1-[3,5-dichloro-4-[(4-nitrophenyl)methoxy]phenyl]methanimine
CID 126208858
2-[(4-chloro-3-nitrophenyl)methylideneamino]-4-[[3-[(4-chloro-3-nitrophenyl)methylideneamino]-4-hydroxyphenyl]methyl]phenol
CID 171980289
2-[(4-chloro-3-nitrophenyl)methylideneamino]-4,5-dimethylfuran-3-carbonitrile
CID 1276399
N-(3-chloro-2-methylphenyl)-1-[3,5-dibromo-4-[(4-nitrophenyl)methoxy]phenyl]methanimine
CID 126223873
3-chloro-N-[(4-chloro-3-nitrophenyl)methylideneamino]aniline
CID 84924393
4-[(4-chloro-3-nitrophenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 3376750

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-1-(4-chloro-3-nitrophenyl)methanimine?
The IUPAC name of N-(3-chloro-2-methylphenyl)-1-(4-chloro-3-nitrophenyl)methanimine (CID 693294) is N-(3-chloro-2-methylphenyl)-1-(4-chloro-3-nitrophenyl)methanimine.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-1-(4-chloro-3-nitrophenyl)methanimine?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-1-(4-chloro-3-nitrophenyl)methanimine is Cc1c(Cl)cccc1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-1-(4-chloro-3-nitrophenyl)methanimine?
The InChIKey is HJCNRJOMAXOBTG-CAOOACKPSA-N. The full InChI is InChI=1S/C14H10Cl2N2O2/c1-9-11(15)3-2-4-13(9)17-8-10-5-6-12(16)14(7-10)18(19)20/h2-8H,1H3/b17-8+.
What are the key properties of N-(3-chloro-2-methylphenyl)-1-(4-chloro-3-nitrophenyl)methanimine?
N-(3-chloro-2-methylphenyl)-1-(4-chloro-3-nitrophenyl)methanimine has a molecular weight of 309.15 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-1-(4-chloro-3-nitrophenyl)methanimine is sourced from PubChem (CID 693294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).