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

C14H11ClN2O3 — CID 964364

IUPACN-(3-chloro-4-methoxyphenyl)-1-(4-nitrophenyl)methanimine
SMILESCOc1ccc(/N=C/c2ccc([N+](=O)[O-])cc2)cc1Cl
InChIInChI=1S/C14H11ClN2O3/c1-20-14-7-4-11(8-13(14)15)16-9-10-2-5-12(6-3-10)17(18)19/h2-9H,1H3/b16-9+
InChIKeyPAEVEASWRHBOKT-CXUHLZMHSA-N
MW290.71 g/mol
LogP4.01
Rot. Bonds4

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

N-(3-chloro-4-methoxyphenyl)-1-(4-nitrophenyl)methanimine (PubChem CID 964364) has the molecular formula C14H11ClN2O3 and a molecular weight of 290.71 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-1-(4-nitrophenyl)methanimine.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-1-(4-nitrophenyl)methanimine
PubChem CID964364
Molecular FormulaC14H11ClN2O3
Molecular Weight290.71 g/mol
Exact Mass290.05
IUPAC NameN-(3-chloro-4-methoxyphenyl)-1-(4-nitrophenyl)methanimine
SMILESCOc1ccc(/N=C/c2ccc([N+](=O)[O-])cc2)cc1Cl
InChIInChI=1S/C14H11ClN2O3/c1-20-14-7-4-11(8-13(14)15)16-9-10-2-5-12(6-3-10)17(18)19/h2-9H,1H3/b16-9+
InChIKeyPAEVEASWRHBOKT-CXUHLZMHSA-N
XLogP4.01
TPSA64.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.71
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

Analyze N-(3-chloro-4-methoxyphenyl)-1-(4-nitrophenyl)methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chloro-4-methylphenyl)-1-(4-nitrophenyl)methanimine
CID 690795
1-(4-chloro-3-nitrophenyl)-N-(3,4-dimethoxyphenyl)methanimine
CID 758987
1-[3-chloro-4-(2,4-dinitrophenoxy)phenyl]-N-(3,4-dimethylphenyl)methanimine
CID 126218592
N-(3-chloro-4-methylphenyl)-1-[4-(2,4-dinitrophenoxy)phenyl]methanimine
CID 126220781
4-[(2-methoxy-5-nitrophenyl)iminomethyl]phenol
CID 693735
N-(4-iodophenyl)-1-(4-nitrophenyl)methanimine
CID 554970
[2-methoxy-4-[(4-nitrophenyl)iminomethyl]phenyl] cyclopropanecarboxylate
CID 23791098
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
1-(3-bromophenyl)-N-(3-chloro-4-methoxyphenyl)methanimine
CID 21211700
N-(5-chloro-2-methylphenyl)-1-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methanimine
CID 126218322
1-[3-bromo-4-[(4-nitrophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)methanimine
CID 126206905

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-1-(4-nitrophenyl)methanimine?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-1-(4-nitrophenyl)methanimine (CID 964364) is N-(3-chloro-4-methoxyphenyl)-1-(4-nitrophenyl)methanimine.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-1-(4-nitrophenyl)methanimine?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-1-(4-nitrophenyl)methanimine is COc1ccc(/N=C/c2ccc([N+](=O)[O-])cc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-1-(4-nitrophenyl)methanimine?
The InChIKey is PAEVEASWRHBOKT-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H11ClN2O3/c1-20-14-7-4-11(8-13(14)15)16-9-10-2-5-12(6-3-10)17(18)19/h2-9H,1H3/b16-9+.
What are the key properties of N-(3-chloro-4-methoxyphenyl)-1-(4-nitrophenyl)methanimine?
N-(3-chloro-4-methoxyphenyl)-1-(4-nitrophenyl)methanimine has a molecular weight of 290.71 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-1-(4-nitrophenyl)methanimine is sourced from PubChem (CID 964364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).