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

C14H11ClN2O2 — CID 690795

IUPACN-(3-chloro-4-methylphenyl)-1-(4-nitrophenyl)methanimine
SMILESCc1ccc(/N=C/c2ccc([N+](=O)[O-])cc2)cc1Cl
InChIInChI=1S/C14H11ClN2O2/c1-10-2-5-12(8-14(10)15)16-9-11-3-6-13(7-4-11)17(18)19/h2-9H,1H3/b16-9+
InChIKeyOWYHMBLBIOVPQW-CXUHLZMHSA-N
MW274.71 g/mol
LogP4.31
Rot. Bonds3

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

N-(3-chloro-4-methylphenyl)-1-(4-nitrophenyl)methanimine (PubChem CID 690795) has the molecular formula C14H11ClN2O2 and a molecular weight of 274.71 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-1-(4-nitrophenyl)methanimine.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-1-(4-nitrophenyl)methanimine
PubChem CID690795
Molecular FormulaC14H11ClN2O2
Molecular Weight274.71 g/mol
Exact Mass274.05
IUPAC NameN-(3-chloro-4-methylphenyl)-1-(4-nitrophenyl)methanimine
SMILESCc1ccc(/N=C/c2ccc([N+](=O)[O-])cc2)cc1Cl
InChIInChI=1S/C14H11ClN2O2/c1-10-2-5-12(8-14(10)15)16-9-11-3-6-13(7-4-11)17(18)19/h2-9H,1H3/b16-9+
InChIKeyOWYHMBLBIOVPQW-CXUHLZMHSA-N
XLogP4.31
TPSA55.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 54.31
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

N-(3-chloro-4-methylphenyl)-1-[4-(2,4-dinitrophenoxy)phenyl]methanimine
CID 126220781
N-(3-chloro-4-methoxyphenyl)-1-(4-nitrophenyl)methanimine
CID 964364
4-[(3-chloro-4-methylphenyl)iminomethyl]-2-nitrophenol
CID 137100120
N-(3-chloro-4-methylphenyl)-1-[3-[(4-nitrophenyl)methoxy]phenyl]methanimine
CID 126206312
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1-(4-nitrophenyl)methanimine
CID 5172630
N-(4-iodophenyl)-1-(4-nitrophenyl)methanimine
CID 554970
[4-[(3,4-dimethylphenyl)iminomethyl]phenyl] 4-nitrobenzenesulfonate
CID 3329944
1-(4-chlorophenyl)-N-(2-methyl-4-nitrophenyl)methanimine
CID 5036579
1-[3-chloro-4-(2,4-dinitrophenoxy)phenyl]-N-(3,4-dimethylphenyl)methanimine
CID 126218592
2-[2-hydroxy-5-[(4-nitrophenyl)methylideneamino]phenyl]-4-[(4-nitrophenyl)methylideneamino]phenol
CID 71362397
N-naphthalen-2-yl-1-(4-nitrophenyl)methanimine
CID 826826
2,6-dichloro-4-[(3-chloro-4-methylphenyl)iminomethyl]phenol
CID 137149795

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-1-(4-nitrophenyl)methanimine?
The IUPAC name of N-(3-chloro-4-methylphenyl)-1-(4-nitrophenyl)methanimine (CID 690795) is N-(3-chloro-4-methylphenyl)-1-(4-nitrophenyl)methanimine.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-1-(4-nitrophenyl)methanimine?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-1-(4-nitrophenyl)methanimine is Cc1ccc(/N=C/c2ccc([N+](=O)[O-])cc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-1-(4-nitrophenyl)methanimine?
The InChIKey is OWYHMBLBIOVPQW-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H11ClN2O2/c1-10-2-5-12(8-14(10)15)16-9-11-3-6-13(7-4-11)17(18)19/h2-9H,1H3/b16-9+.
What are the key properties of N-(3-chloro-4-methylphenyl)-1-(4-nitrophenyl)methanimine?
N-(3-chloro-4-methylphenyl)-1-(4-nitrophenyl)methanimine has a molecular weight of 274.71 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-1-(4-nitrophenyl)methanimine is sourced from PubChem (CID 690795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).