N-(3-chlorophenyl)-1-(4,5-dimethoxy-2-nitrophenyl)methanimine

C15H13ClN2O4 — CID 139227482

IUPACN-(3-chlorophenyl)-1-(4,5-dimethoxy-2-nitrophenyl)methanimine
SMILESCOc1cc(/C=N/c2cccc(Cl)c2)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C15H13ClN2O4/c1-21-14-6-10(13(18(19)20)8-15(14)22-2)9-17-12-5-3-4-11(16)7-12/h3-9H,1-2H3/b17-9+
InChIKeyMWOZRTPZHXPRLJ-RQZCQDPDSA-N
MW320.73 g/mol
LogP4.02
Rot. Bonds5

About N-(3-chlorophenyl)-1-(4,5-dimethoxy-2-nitrophenyl)methanimine

N-(3-chlorophenyl)-1-(4,5-dimethoxy-2-nitrophenyl)methanimine (PubChem CID 139227482) has the molecular formula C15H13ClN2O4 and a molecular weight of 320.73 g/mol. Its IUPAC name is N-(3-chlorophenyl)-1-(4,5-dimethoxy-2-nitrophenyl)methanimine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-1-(4,5-dimethoxy-2-nitrophenyl)methanimine
PubChem CID139227482
Molecular FormulaC15H13ClN2O4
Molecular Weight320.73 g/mol
Exact Mass320.06
IUPAC NameN-(3-chlorophenyl)-1-(4,5-dimethoxy-2-nitrophenyl)methanimine
SMILESCOc1cc(/C=N/c2cccc(Cl)c2)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C15H13ClN2O4/c1-21-14-6-10(13(18(19)20)8-15(14)22-2)9-17-12-5-3-4-11(16)7-12/h3-9H,1-2H3/b17-9+
InChIKeyMWOZRTPZHXPRLJ-RQZCQDPDSA-N
XLogP4.02
TPSA73.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.73
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-chlorophenyl)-1-(4,5-dimethoxy-2-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

2-[(3-chlorophenyl)iminomethyl]-4-methoxy-6-nitrophenolate
CID 2185221
2-[(3-chlorophenyl)iminomethyl]-4-nitrophenolate
CID 7605518
N-(3-methoxyphenyl)-1-(2-nitrophenyl)methanimine
CID 4191287
1-(4-chloro-3-nitrophenyl)-N-(3,4-dimethoxyphenyl)methanimine
CID 758987
N-(3-chlorophenyl)-N'-[(5-methoxy-2-nitro-4-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 5213889
3,4-dichloro-N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]aniline
CID 9058963
N-[(3-chlorophenyl)-(4-methoxy-3-nitrophenyl)methylidene]hydroxylamine
CID 5073130
1,2-dimethoxy-4-nitro-5-[(E)-2-phenylethenyl]benzene
CID 101203170
3-[(2-methoxy-5-nitrophenyl)methylideneamino]benzoic acid
CID 690081
N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-4-fluoroaniline
CID 9076217
4-chloro-2-[(3,5-dimethoxyphenyl)iminomethyl]-6-nitrophenolate
CID 7606032
N-[(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-3-iodobenzamide
CID 4042622

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-1-(4,5-dimethoxy-2-nitrophenyl)methanimine?
The IUPAC name of N-(3-chlorophenyl)-1-(4,5-dimethoxy-2-nitrophenyl)methanimine (CID 139227482) is N-(3-chlorophenyl)-1-(4,5-dimethoxy-2-nitrophenyl)methanimine.
What is the SMILES notation for N-(3-chlorophenyl)-1-(4,5-dimethoxy-2-nitrophenyl)methanimine?
The canonical SMILES for N-(3-chlorophenyl)-1-(4,5-dimethoxy-2-nitrophenyl)methanimine is COc1cc(/C=N/c2cccc(Cl)c2)c([N+](=O)[O-])cc1OC.
What is the InChIKey of N-(3-chlorophenyl)-1-(4,5-dimethoxy-2-nitrophenyl)methanimine?
The InChIKey is MWOZRTPZHXPRLJ-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H13ClN2O4/c1-21-14-6-10(13(18(19)20)8-15(14)22-2)9-17-12-5-3-4-11(16)7-12/h3-9H,1-2H3/b17-9+.
What are the key properties of N-(3-chlorophenyl)-1-(4,5-dimethoxy-2-nitrophenyl)methanimine?
N-(3-chlorophenyl)-1-(4,5-dimethoxy-2-nitrophenyl)methanimine has a molecular weight of 320.73 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-1-(4,5-dimethoxy-2-nitrophenyl)methanimine is sourced from PubChem (CID 139227482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).